5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide

C16H15ClN2O3S2 — CID 110325345

IUPAC5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C16H15ClN2O3S2/c1-9-5-10(2)15-11(6-9)7-12(16(20)19-15)8-18-24(21,22)14-4-3-13(17)23-14/h3-7,18H,8H2,1-2H3,(H,19,20)
InChIKeyNFHYJDKRAOWJJX-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110325345) has the molecular formula C16H15ClN2O3S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID110325345
Molecular FormulaC16H15ClN2O3S2
Molecular Weight382.89 g/mol
Exact Mass382.02
IUPAC Name5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C16H15ClN2O3S2/c1-9-5-10(2)15-11(6-9)7-12(16(20)19-15)8-18-24(21,22)14-4-3-13(17)23-14/h3-7,18H,8H2,1-2H3,(H,19,20)
InChIKeyNFHYJDKRAOWJJX-UHFFFAOYSA-N
XLogP3.34
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110326323
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide (CID 110325345) is 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide is Cc1cc(C)c2[nH]c(=O)c(CNS(=O)(=O)c3ccc(Cl)s3)cc2c1.
What is the InChIKey of 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NFHYJDKRAOWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S2/c1-9-5-10(2)15-11(6-9)7-12(16(20)19-15)8-18-24(21,22)14-4-3-13(17)23-14/h3-7,18H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 382.89 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110325345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).