3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C17H12ClN3O3S — CID 118918720

IUPAC3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21
InChIInChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
InChIKeyHHQVWOAKOPBQDP-UHFFFAOYSA-N
MW373.82 g/mol
LogP2.86
Rot. Bonds3

About 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918720) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918720
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC Name3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21
InChIInChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3
InChIKeyHHQVWOAKOPBQDP-UHFFFAOYSA-N
XLogP2.86
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118933132
CID 118933132
CID 2520594
CID 2520594
CID 118918694
CID 118918694
CID 118918703
CID 118918703
CID 118918714
CID 118918714
CID 118918735
CID 118918735
CID 118932971
CID 118932971
CID 118932972
CID 118932972
CID 118932978
CID 118932978
CID 118933137
CID 118933137
CID 131985884
CID 131985884
CID 137644086
CID 137644086

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918720) is 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is HHQVWOAKOPBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3.
What are the key properties of 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 373.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).