5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide

C17H15ClN2O4S — CID 71272125

IUPAC5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C17H15ClN2O4S/c1-10-7-11-8-13(4-5-14(11)19-17(10)21)20-25(22,23)16-9-12(18)3-6-15(16)24-2/h3-9,20H,1-2H3,(H,19,21)
InChIKeyRKMSYSJUWANGPG-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide (PubChem CID 71272125) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide
PubChem CID71272125
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C17H15ClN2O4S/c1-10-7-11-8-13(4-5-14(11)19-17(10)21)20-25(22,23)16-9-12(18)3-6-15(16)24-2/h3-9,20H,1-2H3,(H,19,21)
InChIKeyRKMSYSJUWANGPG-UHFFFAOYSA-N
XLogP3.30
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
methyl 5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate
CID 28560561
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
CID 71271553
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide (CID 71272125) is 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is RKMSYSJUWANGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-10-7-11-8-13(4-5-14(11)19-17(10)21)20-25(22,23)16-9-12(18)3-6-15(16)24-2/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71272125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).