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

C26H23ClFN3O4S — CID 57390735

IUPAC5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C26H23ClFN3O4S/c27-17-11-12-22-20(14-17)23(19-9-5-13-29-25(19)32)24(31(22)15-16-6-1-4-10-21(16)28)26(33)30-36(34,35)18-7-2-3-8-18/h1,4-6,9-14,18H,2-3,7-8,15H2,(H,29,32)(H,30,33)
InChIKeyZWWUTCGKFJXSLT-UHFFFAOYSA-N
MW528.01 g/mol
LogP4.84
Rot. Bonds6

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

5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 57390735) has the molecular formula C26H23ClFN3O4S and a molecular weight of 528.01 g/mol. Its IUPAC name is 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID57390735
Molecular FormulaC26H23ClFN3O4S
Molecular Weight528.01 g/mol
Exact Mass527.11
IUPAC Name5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C26H23ClFN3O4S/c27-17-11-12-22-20(14-17)23(19-9-5-13-29-25(19)32)24(31(22)15-16-6-1-4-10-21(16)28)26(33)30-36(34,35)18-7-2-3-8-18/h1,4-6,9-14,18H,2-3,7-8,15H2,(H,29,32)(H,30,33)
InChIKeyZWWUTCGKFJXSLT-UHFFFAOYSA-N
XLogP4.84
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.01
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 57390735) is 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is O=C(NS(=O)(=O)C1CCCC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is ZWWUTCGKFJXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O4S/c27-17-11-12-22-20(14-17)23(19-9-5-13-29-25(19)32)24(31(22)15-16-6-1-4-10-21(16)28)26(33)30-36(34,35)18-7-2-3-8-18/h1,4-6,9-14,18H,2-3,7-8,15H2,(H,29,32)(H,30,33).
What are the key properties of 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 528.01 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 57390735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).