N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide

C15H14N2O3S2 — CID 110666144

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3cccs3)ccc2[nH]c1=O
InChIInChI=1S/C15H14N2O3S2/c1-10-7-12-8-11(4-5-13(12)17-15(10)18)9-16-22(19,20)14-3-2-6-21-14/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyMCHWIJVKLSIEIZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds4

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110666144) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID110666144
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3cccs3)ccc2[nH]c1=O
InChIInChI=1S/C15H14N2O3S2/c1-10-7-12-8-11(4-5-13(12)17-15(10)18)9-16-22(19,20)14-3-2-6-21-14/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyMCHWIJVKLSIEIZ-UHFFFAOYSA-N
XLogP2.38
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
CID 110783690
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
2,5-dimethyl-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643310
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
2-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110417935
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643307
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide (CID 110666144) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide is Cc1cc2cc(CNS(=O)(=O)c3cccs3)ccc2[nH]c1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is MCHWIJVKLSIEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-10-7-12-8-11(4-5-13(12)17-15(10)18)9-16-22(19,20)14-3-2-6-21-14/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110666144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).