N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide

C17H15N3O3S — CID 39204506

IUPACN-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)20-14-7-4-6-13(11-14)18-17(21)16-10-9-12-5-2-3-8-15(12)19-16/h2-11,20H,1H3,(H,18,21)
InChIKeyKHCUEIAIRIBCRG-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide

N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide (PubChem CID 39204506) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
PubChem CID39204506
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)20-14-7-4-6-13(11-14)18-17(21)16-10-9-12-5-2-3-8-15(12)19-16/h2-11,20H,1H3,(H,18,21)
InChIKeyKHCUEIAIRIBCRG-UHFFFAOYSA-N
XLogP2.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
CID 3981865
N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 9107051
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
methanesulfonic acid;quinoline-2-carboxylic acid;hydrate
CID 172686492
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-[3-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]quinoline-2-carboxamide
CID 139350163
N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]quinoline-2-carboxamide
CID 139360505
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide (CID 39204506) is N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide?
The InChIKey is KHCUEIAIRIBCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(22,23)20-14-7-4-6-13(11-14)18-17(21)16-10-9-12-5-2-3-8-15(12)19-16/h2-11,20H,1H3,(H,18,21).
What are the key properties of N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide?
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 39204506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).