8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide

C17H14FN3O4S — CID 74232223

IUPAC8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-3-1-2-12-15(22)8-14(21-16(12)13)17(23)20-9-10-4-6-11(7-5-10)26(19,24)25/h1-8H,9H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyNMSOPQLRCQIEBA-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.24
Rot. Bonds4

About 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide

8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide (PubChem CID 74232223) has the molecular formula C17H14FN3O4S and a molecular weight of 375.38 g/mol. Its IUPAC name is 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
PubChem CID74232223
Molecular FormulaC17H14FN3O4S
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-3-1-2-12-15(22)8-14(21-16(12)13)17(23)20-9-10-4-6-11(7-5-10)26(19,24)25/h1-8H,9H2,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyNMSOPQLRCQIEBA-UHFFFAOYSA-N
XLogP1.24
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642870
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide (CID 74232223) is 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)cc1.
What is the InChIKey of 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide?
The InChIKey is NMSOPQLRCQIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S/c18-13-3-1-2-12-15(22)8-14(21-16(12)13)17(23)20-9-10-4-6-11(7-5-10)26(19,24)25/h1-8H,9H2,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide?
8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 74232223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).