2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide

C17H15N3O3S — CID 9413123

IUPAC2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-11-9-15(14-7-2-3-8-16(14)19-11)17(21)20-12-5-4-6-13(10-12)24(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyBNEICOFQQRKWLK-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide

2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide (PubChem CID 9413123) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
PubChem CID9413123
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-11-9-15(14-7-2-3-8-16(14)19-11)17(21)20-12-5-4-6-13(10-12)24(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyBNEICOFQQRKWLK-UHFFFAOYSA-N
XLogP2.44
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 55882150
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
CID 58988094
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide (CID 9413123) is 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The InChIKey is BNEICOFQQRKWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-9-15(14-7-2-3-8-16(14)19-11)17(21)20-12-5-4-6-13(10-12)24(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 9413123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).