N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide

C17H15N3O5S — CID 71562973

IUPACN-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3O)[nH]c12
InChIInChI=1S/C17H15N3O5S/c1-26(24,25)20-12-7-4-5-10-15(22)9-13(18-16(10)12)17(23)19-11-6-2-3-8-14(11)21/h2-9,20-21H,1H3,(H,18,22)(H,19,23)
InChIKeyXMFWVNIKJZILRH-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.86
Rot. Bonds4

About N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide

N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 71562973) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide
PubChem CID71562973
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3O)[nH]c12
InChIInChI=1S/C17H15N3O5S/c1-26(24,25)20-12-7-4-5-10-15(22)9-13(18-16(10)12)17(23)19-11-6-2-3-8-14(11)21/h2-9,20-21H,1H3,(H,18,22)(H,19,23)
InChIKeyXMFWVNIKJZILRH-UHFFFAOYSA-N
XLogP1.86
TPSA128.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-(methanesulfonamido)-N-[(2S)-nonan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
CID 71562728
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dihydroxyamino)-1H-indole-2-carboxamide
CID 89175268
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354
N-[(2Z,4Z)-2-aminohepta-2,4,6-trien-3-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
CID 143597076
3,5-difluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368320
8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 74232223
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
N-(9H-carbazol-1-yl)benzamide
CID 138533611
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide (CID 71562973) is N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide is CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3O)[nH]c12.
What is the InChIKey of N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is XMFWVNIKJZILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-26(24,25)20-12-7-4-5-10-15(22)9-13(18-16(10)12)17(23)19-11-6-2-3-8-14(11)21/h2-9,20-21H,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide?
N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-8-(methanesulfonamido)-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 71562973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).