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

C24H19ClFN3O4S — CID 57396013

IUPAC5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H19ClFN3O4S/c25-15-7-10-20-18(12-15)21(17-5-3-11-27-23(17)30)22(24(31)28-34(32,33)16-8-9-16)29(20)13-14-4-1-2-6-19(14)26/h1-7,10-12,16H,8-9,13H2,(H,27,30)(H,28,31)
InChIKeyGGMHLPQQQCDIFG-UHFFFAOYSA-N
MW499.95 g/mol
LogP4.06
Rot. Bonds6

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

5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 57396013) has the molecular formula C24H19ClFN3O4S and a molecular weight of 499.95 g/mol. Its IUPAC name is 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID57396013
Molecular FormulaC24H19ClFN3O4S
Molecular Weight499.95 g/mol
Exact Mass499.08
IUPAC Name5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H19ClFN3O4S/c25-15-7-10-20-18(12-15)21(17-5-3-11-27-23(17)30)22(24(31)28-34(32,33)16-8-9-16)29(20)13-14-4-1-2-6-19(14)26/h1-7,10-12,16H,8-9,13H2,(H,27,30)(H,28,31)
InChIKeyGGMHLPQQQCDIFG-UHFFFAOYSA-N
XLogP4.06
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.95
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 57396013) is 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is GGMHLPQQQCDIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O4S/c25-15-7-10-20-18(12-15)21(17-5-3-11-27-23(17)30)22(24(31)28-34(32,33)16-8-9-16)29(20)13-14-4-1-2-6-19(14)26/h1-7,10-12,16H,8-9,13H2,(H,27,30)(H,28,31).
What are the key properties of 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 499.95 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 57396013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).