5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide

C103H134ClN15O16S8 — CID 157188977

IUPAC5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)N3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)NC3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)c3ccccc3Cl)c3ccccc23)n1CC1CCCCC1.Cc1ccc2c(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cn(S(=O)(=O)N3CCCCC3)c2c1
InChIInChI=1S/C26H28ClN3O4S2.2C26H36N4O4S2.C25H34N4O4S2/c1-18-26(35(28,31)32)15-24(29(18)16-19-9-3-2-4-10-19)21-17-30(23-13-7-5-11-20(21)23)36(33,34)25-14-8-6-12-22(25)27;1-19-11-12-22-23(18-30(25(22)15-19)36(33,34)28-13-7-4-8-14-28)24-16-26(35(27,31)32)20(2)29(24)17-21-9-5-3-6-10-21;1-19-26(35(27,31)32)16-25(29(19)17-20-10-4-2-5-11-20)23-18-30(24-15-9-8-14-22(23)24)36(33,34)28-21-12-6-3-7-13-21;1-19-25(34(26,30)31)16-24(28(19)17-20-10-4-2-5-11-20)22-18-29(23-13-7-6-12-21(22)23)35(32,33)27-14-8-3-9-15-27/h5-8,11-15,17,19H,2-4,9-10,16H2,1H3,(H2,28,31,32);11-12,15-16,18,21H,3-10,13-14,17H2,1-2H3,(H2,27,31,32);8-9,14-16,18,20-21,28H,2-7,10-13,17H2,1H3,(H2,27,31,32);6-7,12-13,16,18,20H,2-5,8-11,14-15,17H2,1H3,(H2,26,30,31)
InChIKeyAPLVMVBUMVAQCA-UHFFFAOYSA-N
MW2130.28 g/mol
LogP18.96
Rot. Bonds25

About 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide

5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide (PubChem CID 157188977) has the molecular formula C103H134ClN15O16S8 and a molecular weight of 2130.28 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide
PubChem CID157188977
Molecular FormulaC103H134ClN15O16S8
Molecular Weight2130.28 g/mol
Exact Mass2127.76
IUPAC Name5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)N3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)NC3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)c3ccccc3Cl)c3ccccc23)n1CC1CCCCC1.Cc1ccc2c(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cn(S(=O)(=O)N3CCCCC3)c2c1
InChIInChI=1S/C26H28ClN3O4S2.2C26H36N4O4S2.C25H34N4O4S2/c1-18-26(35(28,31)32)15-24(29(18)16-19-9-3-2-4-10-19)21-17-30(23-13-7-5-11-20(21)23)36(33,34)25-14-8-6-12-22(25)27;1-19-11-12-22-23(18-30(25(22)15-19)36(33,34)28-13-7-4-8-14-28)24-16-26(35(27,31)32)20(2)29(24)17-21-9-5-3-6-10-21;1-19-26(35(27,31)32)16-25(29(19)17-20-10-4-2-5-11-20)23-18-30(24-15-9-8-14-22(23)24)36(33,34)28-21-12-6-3-7-13-21;1-19-25(34(26,30)31)16-24(28(19)17-20-10-4-2-5-11-20)22-18-29(23-13-7-6-12-21(22)23)35(32,33)27-14-8-3-9-15-27/h5-8,11-15,17,19H,2-4,9-10,16H2,1H3,(H2,28,31,32);11-12,15-16,18,21H,3-10,13-14,17H2,1-2H3,(H2,27,31,32);8-9,14-16,18,20-21,28H,2-7,10-13,17H2,1H3,(H2,27,31,32);6-7,12-13,16,18,20H,2-5,8-11,14-15,17H2,1H3,(H2,26,30,31)
InChIKeyAPLVMVBUMVAQCA-UHFFFAOYSA-N
XLogP18.96
TPSA435.15 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.28
LogP ≤ 518.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide (CID 157188977) is 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide is Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)N3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)NC3CCCCC3)c3ccccc23)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)c3ccccc3Cl)c3ccccc23)n1CC1CCCCC1.Cc1ccc2c(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cn(S(=O)(=O)N3CCCCC3)c2c1.
What is the InChIKey of 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide?
The InChIKey is APLVMVBUMVAQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S2.2C26H36N4O4S2.C25H34N4O4S2/c1-18-26(35(28,31)32)15-24(29(18)16-19-9-3-2-4-10-19)21-17-30(23-13-7-5-11-20(21)23)36(33,34)25-14-8-6-12-22(25)27;1-19-11-12-22-23(18-30(25(22)15-19)36(33,34)28-13-7-4-8-14-28)24-16-26(35(27,31)32)20(2)29(24)17-21-9-5-3-6-10-21;1-19-26(35(27,31)32)16-25(29(19)17-20-10-4-2-5-11-20)23-18-30(24-15-9-8-14-22(23)24)36(33,34)28-21-12-6-3-7-13-21;1-19-25(34(26,30)31)16-24(28(19)17-20-10-4-2-5-11-20)22-18-29(23-13-7-6-12-21(22)23)35(32,33)27-14-8-3-9-15-27/h5-8,11-15,17,19H,2-4,9-10,16H2,1H3,(H2,28,31,32);11-12,15-16,18,21H,3-10,13-14,17H2,1-2H3,(H2,27,31,32);8-9,14-16,18,20-21,28H,2-7,10-13,17H2,1H3,(H2,27,31,32);6-7,12-13,16,18,20H,2-5,8-11,14-15,17H2,1H3,(H2,26,30,31).
What are the key properties of 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide?
5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide has a molecular weight of 2130.28 g/mol, XLogP of 18.96, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)sulfonylindol-3-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]indole-1-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(6-methyl-1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-2-methyl-5-(1-piperidin-1-ylsulfonylindol-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 157188977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).