2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide

C42H40F6N8O7S2 — CID 158607511

IUPAC2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12
InChIInChI=1S/C23H25F3N4O4S.C19H15F3N4O3S/c1-23(2,3)29-35(32,33)13-7-8-16(28-11-13)20-19(21(27)31)14-9-15(24)18(34-22(25)26)10-17(14)30(20)12-5-4-6-12;20-14-6-12-13(8-23)18(15-5-4-11(9-25-15)30(24,27)28)26(10-2-1-3-10)16(12)7-17(14)29-19(21)22/h7-12,22,29H,4-6H2,1-3H3,(H2,27,31);4-7,9-10,19H,1-3H2,(H2,24,27,28)
InChIKeyHWKMGQDSXOJHGK-UHFFFAOYSA-N
MW946.95 g/mol
LogP8.03
Rot. Bonds12

About 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide

2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide (PubChem CID 158607511) has the molecular formula C42H40F6N8O7S2 and a molecular weight of 946.95 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide
PubChem CID158607511
Molecular FormulaC42H40F6N8O7S2
Molecular Weight946.95 g/mol
Exact Mass946.24
IUPAC Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12
InChIInChI=1S/C23H25F3N4O4S.C19H15F3N4O3S/c1-23(2,3)29-35(32,33)13-7-8-16(28-11-13)20-19(21(27)31)14-9-15(24)18(34-22(25)26)10-17(14)30(20)12-5-4-6-12;20-14-6-12-13(8-23)18(15-5-4-11(9-25-15)30(24,27)28)26(10-2-1-3-10)16(12)7-17(14)29-19(21)22/h7-12,22,29H,4-6H2,1-3H3,(H2,27,31);4-7,9-10,19H,1-3H2,(H2,24,27,28)
InChIKeyHWKMGQDSXOJHGK-UHFFFAOYSA-N
XLogP8.03
TPSA227.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.95
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
CID 66730940
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide
CID 70370606
N-tert-butyl-6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(difluoromethyl)pyridine-3-sulfonamide
CID 66730973
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 87129384
N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
CID 66731327
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-hydroxyindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181517
N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide
CID 66730968
6-[4-bromo-3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;sulfane
CID 158661236
6-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-6-(difluoromethoxy)-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 157263261
6-(3-cyano-1-cyclobutyl-5-fluoro-6-methoxyindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
CID 46941141
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-methylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181348
2-[6-(tert-butylsulfonylamino)-3-pyridinyl]-1-cyclohexyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide
CID 66731304

Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide (CID 158607511) is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)c(F)cc12.
What is the InChIKey of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide?
The InChIKey is HWKMGQDSXOJHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4S.C19H15F3N4O3S/c1-23(2,3)29-35(32,33)13-7-8-16(28-11-13)20-19(21(27)31)14-9-15(24)18(34-22(25)26)10-17(14)30(20)12-5-4-6-12;20-14-6-12-13(8-23)18(15-5-4-11(9-25-15)30(24,27)28)26(10-2-1-3-10)16(12)7-17(14)29-19(21)22/h7-12,22,29H,4-6H2,1-3H3,(H2,27,31);4-7,9-10,19H,1-3H2,(H2,24,27,28).
What are the key properties of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide?
2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide has a molecular weight of 946.95 g/mol, XLogP of 8.03, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindole-3-carboxamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).