2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C161H139F3N22O28S10 — CID 160595231

IUPAC2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cccc(F)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cscn1.O=C(Cc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccc1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1ccco1.O=C(Nc1ccn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccn1
InChIInChI=1S/C22H17N3O3S.C19H17F2N3O3S.C18H15FN2O3S.2C18H17N3O3S.C18H15NO3S.C16H13N3O3S.C16H14N2O4S.C16H14N2O3S2/c26-22(21-11-4-5-13-23-21)24-19-12-14-25(16-19)29(27,28)20-10-6-9-18(15-20)17-7-2-1-3-8-17;1-19(20,21)15-6-4-5-14(11-15)13-28(26,27)24-10-8-16(12-24)23-18(25)17-7-2-3-9-22-17;19-18-8-4-7-16(20-18)17(22)11-15-9-10-21(12-15)25(23,24)13-14-5-2-1-3-6-14;2*1-14-5-4-6-15(11-14)13-25(23,24)21-10-8-16(12-21)20-18(22)17-7-2-3-9-19-17;20-18(16-7-3-1-4-8-16)13-15-11-12-19(14-15)23(21,22)17-9-5-2-6-10-17;20-16(15-8-4-5-10-17-15)18-13-9-11-19(12-13)23(21,22)14-6-2-1-3-7-14;19-16(15-7-4-10-22-15)17-14-8-9-18(11-14)23(20,21)12-13-5-2-1-3-6-13;19-16(15-10-22-12-17-15)8-14-6-7-18(9-14)23(20,21)11-13-4-2-1-3-5-13/h1-16H,(H,24,26);2-12H,13H2,1H3,(H,23,25);1-10,12H,11,13H2;2*2-12H,13H2,1H3,(H,20,22);1-12,14H,13H2;1-12H,(H,18,20);1-11H,12H2,(H,17,19);1-7,9-10,12H,8,11H2
InChIKeyRDNSBULYFIGTQJ-UHFFFAOYSA-N
MW3207.67 g/mol
LogP27.12
Rot. Bonds47

About 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 160595231) has the molecular formula C161H139F3N22O28S10 and a molecular weight of 3207.67 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID160595231
Molecular FormulaC161H139F3N22O28S10
Molecular Weight3207.67 g/mol
Exact Mass3204.73
IUPAC Name2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cccc(F)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cscn1.O=C(Cc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccc1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1ccco1.O=C(Nc1ccn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccn1
InChIInChI=1S/C22H17N3O3S.C19H17F2N3O3S.C18H15FN2O3S.2C18H17N3O3S.C18H15NO3S.C16H13N3O3S.C16H14N2O4S.C16H14N2O3S2/c26-22(21-11-4-5-13-23-21)24-19-12-14-25(16-19)29(27,28)20-10-6-9-18(15-20)17-7-2-1-3-8-17;1-19(20,21)15-6-4-5-14(11-15)13-28(26,27)24-10-8-16(12-24)23-18(25)17-7-2-3-9-22-17;19-18-8-4-7-16(20-18)17(22)11-15-9-10-21(12-15)25(23,24)13-14-5-2-1-3-6-14;2*1-14-5-4-6-15(11-14)13-25(23,24)21-10-8-16(12-21)20-18(22)17-7-2-3-9-19-17;20-18(16-7-3-1-4-8-16)13-15-11-12-19(14-15)23(21,22)17-9-5-2-6-10-17;20-16(15-8-4-5-10-17-15)18-13-9-11-19(12-13)23(21,22)14-6-2-1-3-7-14;19-16(15-7-4-10-22-15)17-14-8-9-18(11-14)23(20,21)12-13-5-2-1-3-6-13;19-16(15-10-22-12-17-15)8-14-6-7-18(9-14)23(20,21)11-13-4-2-1-3-5-13/h1-16H,(H,24,26);2-12H,13H2,1H3,(H,23,25);1-10,12H,11,13H2;2*2-12H,13H2,1H3,(H,20,22);1-12,14H,13H2;1-12H,(H,18,20);1-11H,12H2,(H,17,19);1-7,9-10,12H,8,11H2
InChIKeyRDNSBULYFIGTQJ-UHFFFAOYSA-N
XLogP27.12
TPSA680.81 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds47
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.67
LogP ≤ 527.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 160595231) is 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is CC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cccc(F)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cscn1.O=C(Cc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccc1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1ccco1.O=C(Nc1ccn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)c2ccccc2)c1)c1ccccn1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is RDNSBULYFIGTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S.C19H17F2N3O3S.C18H15FN2O3S.2C18H17N3O3S.C18H15NO3S.C16H13N3O3S.C16H14N2O4S.C16H14N2O3S2/c26-22(21-11-4-5-13-23-21)24-19-12-14-25(16-19)29(27,28)20-10-6-9-18(15-20)17-7-2-1-3-8-17;1-19(20,21)15-6-4-5-14(11-15)13-28(26,27)24-10-8-16(12-24)23-18(25)17-7-2-3-9-22-17;19-18-8-4-7-16(20-18)17(22)11-15-9-10-21(12-15)25(23,24)13-14-5-2-1-3-6-14;2*1-14-5-4-6-15(11-14)13-25(23,24)21-10-8-16(12-21)20-18(22)17-7-2-3-9-19-17;20-18(16-7-3-1-4-8-16)13-15-11-12-19(14-15)23(21,22)17-9-5-2-6-10-17;20-16(15-8-4-5-10-17-15)18-13-9-11-19(12-13)23(21,22)14-6-2-1-3-7-14;19-16(15-7-4-10-22-15)17-14-8-9-18(11-14)23(20,21)12-13-5-2-1-3-6-13;19-16(15-10-22-12-17-15)8-14-6-7-18(9-14)23(20,21)11-13-4-2-1-3-5-13/h1-16H,(H,24,26);2-12H,13H2,1H3,(H,23,25);1-10,12H,11,13H2;2*2-12H,13H2,1H3,(H,20,22);1-12,14H,13H2;1-12H,(H,18,20);1-11H,12H2,(H,17,19);1-7,9-10,12H,8,11H2.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 3207.67 g/mol, XLogP of 27.12, 47 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrol-3-yl]-1-phenylethanone;N-[1-(benzenesulfonyl)pyrrol-3-yl]pyridine-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;N-(1-benzylsulfonylpyrrol-3-yl)furan-2-carboxamide;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-[(3-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160595231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).