N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide

C16H13ClN2O3S — CID 10665443

IUPACN-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O3S/c1-23(21,22)19-15-12-8-7-11(17)9-13(12)18-16(20)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20)
InChIKeySYHUWOLKUIXQKV-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.22
Rot. Bonds3

About N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide

N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide (PubChem CID 10665443) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide
PubChem CID10665443
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN2O3S/c1-23(21,22)19-15-12-8-7-11(17)9-13(12)18-16(20)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20)
InChIKeySYHUWOLKUIXQKV-UHFFFAOYSA-N
XLogP3.22
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide?
The IUPAC name of N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide (CID 10665443) is N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide?
The canonical SMILES for N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide is CS(=O)(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide?
The InChIKey is SYHUWOLKUIXQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-23(21,22)19-15-12-8-7-11(17)9-13(12)18-16(20)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20).
What are the key properties of N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide?
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)methanesulfonamide is sourced from PubChem (CID 10665443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).