43909072
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
16
8
8
8
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
4
5
5
6
6
6
7
7
8
8
9
9
10
10
11
11
12
13
14
14
14
14
15
15
17
17
18
18
19
19
20
20
21
21
22
22
23
24
25
25
26
2
3
5
8
16
17
33
9
16
34
23
26
10
11
12
13
12
27
13
28
29
30
15
16
31
32
18
19
20
23
21
35
22
36
25
37
24
38
24
39
40
41
26
42
43
2
2
1
1
2
1
1
1
1
1
1
2
2
1
2
1
1
1
2
1
1
1
1
1
1
1
2
1
1
2
1
1
2
1
2
1
2
1
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
5.4641
6.4641
4.4641
3.732
5.4641
5.4641
7.1962
5.4641
5.4641
4.5981
6.3301
4.5981
6.3301
4.5981
3.732
4.5981
6.3301
3.732
2.866
7.1962
2.866
2
6.3301
2
8.0622
8.0622
4.0611
6.8671
4.0611
6.8671
4.8101
5.2087
4.9272
6.001
4.269
2.866
7.1962
2.866
1.4631
5.7932
1.4631
8.5991
8.5991
2.25
2.25
2.25
-1.75
3.25
-1.75
5.25
1.25
-0.75
0.75
0.75
-0.25
-0.25
-3.25
-3.75
-2.25
3.75
-4.75
-3.25
3.25
-5.25
-3.75
4.75
-4.75
3.75
4.75
1.06
1.06
-0.56
-0.56
-3.8326
-3.1423
3.56
-2.06
-5.06
-2.63
2.63
-5.87
-3.44
5.06
-5.06
3.44
5.06
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
7
7
8
8
9
9
10
11
15
15
17
17
18
19
20
21
22
25
23
26
10
11
12
13
12
13
18
19
20
23
21
22
25
24
24
26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
547
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043CC192C81002A80235775470C2803031122008D8393874980860F2C09591942008609400C8C8071888808E00040000000000000008000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-phenyl-N-[4-(3-pyridinylsulfamoyl)phenyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H17N3O3S/c23-19(13-15-5-2-1-3-6-15)21-16-8-10-18(11-9-16)26(24,25)22-17-7-4-12-20-14-17/h1-12,14,22H,13H2,(H,21,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ODSCYENLULAHNM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
367.099062
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H17N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
367.42158
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
96.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
367.099062
26
0
0
0
0
0
0
0
1
3