71793 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 17 16 8 8 8 7 7 7 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 2 2 2 2 3 6 6 6 7 7 8 8 9 9 9 9 10 10 10 11 11 12 12 14 14 15 15 16 16 17 17 18 18 19 4 5 8 14 13 7 11 12 13 28 13 29 10 11 20 21 12 22 23 24 25 26 27 15 16 17 30 18 31 19 32 19 33 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 3 3 4.732 4 2 4.732 3.866 3 6.3147 5.8147 5.6456 4.8366 3.866 3 2.134 3.866 2.134 3.866 3 6.7296 6.8163 6.3811 5.6231 5.3356 6.1472 4.7718 4.2166 3.3291 2.4631 1.597 4.403 1.597 4.403 -4.1012 -0.1012 0.8988 -0.1012 -0.1012 2.8988 2.3988 0.8988 3.2352 4.1012 2.492 3.8933 1.3988 -1.1012 -1.6012 -1.6012 -2.6012 -2.6012 -3.1012 2.7744 3.5996 4.3534 4.6909 1.9551 2.1276 4.5099 3.8933 2.7088 1.2088 -1.2912 -1.2912 -2.9112 -2.9112 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 409 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000440000000000000000000000000160000000300000000000000000010000001E06184000000802C150243101826200028800204210704200102005001EA8180802880820228193108420003080008888070000000000020000000000000004000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-(1-pyrrolidinyl)urea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylurea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-pyrrolidin-1-yl-urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-3-pyrrolidino-urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H14ClN3O3S/c12-9-3-5-10(6-4-9)19(17,18)14-11(16)13-15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H2,13,14,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HNSCCNJWTJUGNQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.0444402 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H14ClN3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.77 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.0444402 19 0 0 0 0 0 0 0 1 -1