5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C28H22ClFN4O6S2 — CID 25224866

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)c1
InChIInChI=1S/C28H22ClFN4O6S2/c1-41(37,38)32-19-7-4-8-20(15-19)42(39,40)33-28(36)26-25(21-9-5-13-31-27(21)35)22-14-18(29)11-12-24(22)34(26)16-17-6-2-3-10-23(17)30/h2-15,32H,16H2,1H3,(H,31,35)(H,33,36)
InChIKeySNRCLOJVZATBIN-UHFFFAOYSA-N
MW629.09 g/mol
LogP4.33
Rot. Bonds8

About 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25224866) has the molecular formula C28H22ClFN4O6S2 and a molecular weight of 629.09 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25224866
Molecular FormulaC28H22ClFN4O6S2
Molecular Weight629.09 g/mol
Exact Mass628.07
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)c1
InChIInChI=1S/C28H22ClFN4O6S2/c1-41(37,38)32-19-7-4-8-20(15-19)42(39,40)33-28(36)26-25(21-9-5-13-31-27(21)35)22-14-18(29)11-12-24(22)34(26)16-17-6-2-3-10-23(17)30/h2-15,32H,16H2,1H3,(H,31,35)(H,33,36)
InChIKeySNRCLOJVZATBIN-UHFFFAOYSA-N
XLogP4.33
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.09
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-Aminopyridin-4-Yl)methyl]-5-Chloro-N-({3-[(Methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-1h-Indole-2-Carboxamide
CID 25224865
CID 90676827
CID 90676827
CID 90676828
CID 90676828
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]-1H-indole-2-carboxamide
CID 134815042
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl]-1H-indole-2-carboxamide
CID 134815044
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-[1-(2-fluorophenyl)ethylamino]-2-oxo-ethyl]-1H-indole-2-carboxamide
CID 134815079
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(2-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 134815115
5-chloro-N-[(2,3-difluorophenyl)methyl]-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 134815421
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-[1-(2-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl]-1H-indole-2-carboxamide
CID 134815424
CID 134815425
CID 134815425
CID 134815468
CID 134815468
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-ethylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25224866) is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)c1.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is SNRCLOJVZATBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4O6S2/c1-41(37,38)32-19-7-4-8-20(15-19)42(39,40)33-28(36)26-25(21-9-5-13-31-27(21)35)22-14-18(29)11-12-24(22)34(26)16-17-6-2-3-10-23(17)30/h2-15,32H,16H2,1H3,(H,31,35)(H,33,36).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 629.09 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25224866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).