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

C24H22ClFN4O6S2 — CID 57399483

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCS(=O)(=O)NCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H22ClFN4O6S2/c1-37(33,34)28-11-12-38(35,36)29-24(32)22-21(17-6-4-10-27-23(17)31)18-13-16(25)8-9-20(18)30(22)14-15-5-2-3-7-19(15)26/h2-10,13,28H,11-12,14H2,1H3,(H,27,31)(H,29,32)
InChIKeyCIBIJGDGIYCIMJ-UHFFFAOYSA-N
MW581.05 g/mol
LogP2.45
Rot. Bonds9

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

5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 57399483) has the molecular formula C24H22ClFN4O6S2 and a molecular weight of 581.05 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID57399483
Molecular FormulaC24H22ClFN4O6S2
Molecular Weight581.05 g/mol
Exact Mass580.07
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCS(=O)(=O)NCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H22ClFN4O6S2/c1-37(33,34)28-11-12-38(35,36)29-24(32)22-21(17-6-4-10-27-23(17)31)18-13-16(25)8-9-20(18)30(22)14-15-5-2-3-7-19(15)26/h2-10,13,28H,11-12,14H2,1H3,(H,27,31)(H,29,32)
InChIKeyCIBIJGDGIYCIMJ-UHFFFAOYSA-N
XLogP2.45
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.05
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 57399483) is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CS(=O)(=O)NCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is CIBIJGDGIYCIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O6S2/c1-37(33,34)28-11-12-38(35,36)29-24(32)22-21(17-6-4-10-27-23(17)31)18-13-16(25)8-9-20(18)30(22)14-15-5-2-3-7-19(15)26/h2-10,13,28H,11-12,14H2,1H3,(H,27,31)(H,29,32).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-[(2-fluorophenyl)methyl]-N-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 581.05 g/mol, XLogP of 2.45, 9 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-[2-(methanesulfonamido)ethylsulfonyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 57399483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).