N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide

C117H108ClF5N8O19S6 — CID 167641465

IUPACN-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)c2c(F)ccc(-c3ccccc3)c2C)cc1.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CC3CCC(C2)N3)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F.Cc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1F.Cc1cccc(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)c1.O=C(NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H25FN2O3S.C22H20FNO4S.C22H20FNO3S.C21H17ClFNO3S.C15H14FNO3S.C15H12N2O3S/c1-14-9-16(15-5-3-2-4-6-15)10-20(22(14)23)21(26)13-24-29(27,28)19-11-17-7-8-18(12-19)25-17;1-15-19(16-6-4-3-5-7-16)12-13-20(23)22(15)21(25)14-24-29(26,27)18-10-8-17(28-2)9-11-18;1-15-7-6-10-19(11-15)28(26,27)24-14-21(25)20-13-18(12-16(2)22(20)23)17-8-4-3-5-9-17;1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18;1-11-6-5-9-13(15(11)16)14(18)10-17-21(19,20)12-7-3-2-4-8-12;18-15(13-10-16-14-9-5-4-8-12(13)14)17-21(19,20)11-6-2-1-3-7-11/h2-6,9-10,17-19,24-25H,7-8,11-13H2,1H3;3-13,24H,14H2,1-2H3;3-13,24H,14H2,1-2H3;2-12,24H,13H2,1H3;2-9,17H,10H2,1H3;1-10,16H,(H,17,18)
InChIKeyPFKDNAPKQWBFNF-UHFFFAOYSA-N
MW2253.03 g/mol
LogP20.63
Rot. Bonds33

About N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide

N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 167641465) has the molecular formula C117H108ClF5N8O19S6 and a molecular weight of 2253.03 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID167641465
Molecular FormulaC117H108ClF5N8O19S6
Molecular Weight2253.03 g/mol
Exact Mass2250.57
IUPAC NameN-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)c2c(F)ccc(-c3ccccc3)c2C)cc1.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CC3CCC(C2)N3)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F.Cc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1F.Cc1cccc(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)c1.O=C(NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H25FN2O3S.C22H20FNO4S.C22H20FNO3S.C21H17ClFNO3S.C15H14FNO3S.C15H12N2O3S/c1-14-9-16(15-5-3-2-4-6-15)10-20(22(14)23)21(26)13-24-29(27,28)19-11-17-7-8-18(12-19)25-17;1-15-19(16-6-4-3-5-7-16)12-13-20(23)22(15)21(25)14-24-29(26,27)18-10-8-17(28-2)9-11-18;1-15-7-6-10-19(11-15)28(26,27)24-14-21(25)20-13-18(12-16(2)22(20)23)17-8-4-3-5-9-17;1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18;1-11-6-5-9-13(15(11)16)14(18)10-17-21(19,20)12-7-3-2-4-8-12;18-15(13-10-16-14-9-5-4-8-12(13)14)17-21(19,20)11-6-2-1-3-7-11/h2-6,9-10,17-19,24-25H,7-8,11-13H2,1H3;3-13,24H,14H2,1-2H3;3-13,24H,14H2,1-2H3;2-12,24H,13H2,1H3;2-9,17H,10H2,1H3;1-10,16H,(H,17,18)
InChIKeyPFKDNAPKQWBFNF-UHFFFAOYSA-N
XLogP20.63
TPSA416.49 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002253.03
LogP ≤ 520.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide (CID 167641465) is N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)c2c(F)ccc(-c3ccccc3)c2C)cc1.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CC3CCC(C2)N3)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F.Cc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1F.Cc1cccc(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)c1.O=C(NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is PFKDNAPKQWBFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S.C22H20FNO4S.C22H20FNO3S.C21H17ClFNO3S.C15H14FNO3S.C15H12N2O3S/c1-14-9-16(15-5-3-2-4-6-15)10-20(22(14)23)21(26)13-24-29(27,28)19-11-17-7-8-18(12-19)25-17;1-15-19(16-6-4-3-5-7-16)12-13-20(23)22(15)21(25)14-24-29(26,27)18-10-8-17(28-2)9-11-18;1-15-7-6-10-19(11-15)28(26,27)24-14-21(25)20-13-18(12-16(2)22(20)23)17-8-4-3-5-9-17;1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18;1-11-6-5-9-13(15(11)16)14(18)10-17-21(19,20)12-7-3-2-4-8-12;18-15(13-10-16-14-9-5-4-8-12(13)14)17-21(19,20)11-6-2-1-3-7-11/h2-6,9-10,17-19,24-25H,7-8,11-13H2,1H3;3-13,24H,14H2,1-2H3;3-13,24H,14H2,1-2H3;2-12,24H,13H2,1H3;2-9,17H,10H2,1H3;1-10,16H,(H,17,18).
What are the key properties of N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 2253.03 g/mol, XLogP of 20.63, 33 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 167641465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).