N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide

C17H13N3O3S — CID 118932989

IUPACN-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide
SMILESCn1c(=O)ccc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3
InChIKeyBXGJNRVCUDKEGW-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.21
Rot. Bonds3

About N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide

N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide (PubChem CID 118932989) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide
PubChem CID118932989
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide
SMILESCn1c(=O)ccc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3
InChIKeyBXGJNRVCUDKEGW-UHFFFAOYSA-N
XLogP2.21
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide (CID 118932989) is N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide is Cn1c(=O)ccc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21.
What is the InChIKey of N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide?
The InChIKey is BXGJNRVCUDKEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3.
What are the key properties of N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide?
N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 118932989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).