1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C19H20ClN3O4S — CID 58132925

IUPAC1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O4S/c1-3-4-10-23-15-8-7-12(20)11-14(15)16(13-6-5-9-21-18(13)24)17(23)19(25)22-28(2,26)27/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyARJPVPSJIWKYEW-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.14
Rot. Bonds6

About 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132925) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132925
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O4S/c1-3-4-10-23-15-8-7-12(20)11-14(15)16(13-6-5-9-21-18(13)24)17(23)19(25)22-28(2,26)27/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyARJPVPSJIWKYEW-UHFFFAOYSA-N
XLogP3.14
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132925) is 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCCCn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21.
What is the InChIKey of 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is ARJPVPSJIWKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-3-4-10-23-15-8-7-12(20)11-14(15)16(13-6-5-9-21-18(13)24)17(23)19(25)22-28(2,26)27/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).