15010 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 16 8 8 8 7 7 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 2 2 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 12 12 13 13 14 15 15 15 16 16 16 3 4 5 15 7 26 11 23 9 16 25 8 9 17 10 12 18 19 11 20 13 14 21 14 22 24 27 28 29 30 31 32 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 7 2 8 9 17 3 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 6.001 2.5369 5.501 6.501 5.135 2.5369 3.403 4.269 3.403 4.269 5.135 5.135 6.001 6.001 6.8671 2.5369 3.403 3.615 4.0135 3.732 5.135 6.538 4.5981 6.538 2 2 7.1771 7.404 6.5571 1.9169 2.5369 3.1569 2.567 -0.433 3.433 1.701 2.067 -2.433 -0.933 -0.433 -1.933 0.567 1.067 -0.933 0.567 -0.433 3.067 -3.433 -0.313 -2.5156 -1.8254 0.877 -1.553 0.877 2.377 -0.743 -2.123 -0.743 2.53 3.377 3.6039 -3.433 -4.053 -3.433 3 8 8 8 8 8 8 7 8 8 10 11 12 13 2 10 12 11 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 300 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733000400000000000000000000000000000000000300000000000000000010000001E04104800000C1CE19806B2C082C00202800224424070820000200200088880086C880A362280919184700064D00118D807B0C0A00E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[2-(methylamino)-1-oxidanyl-ethyl]phenyl]methanesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZHOWHMXTJFZXRB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.08816355 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H16N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 244.08816355 16 1 0 1 0 0 0 0 1 -1