3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide

C17H14FN3O3S — CID 167785991

IUPAC3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(F)c3)c2n1
InChIInChI=1S/C17H14FN3O3S/c1-10-5-6-11-3-2-4-14(16(11)20-10)21-17(22)12-7-8-15(13(18)9-12)25(19,23)24/h2-9H,1H3,(H,21,22)(H2,19,23,24)
InChIKeyGKQVLBXNPNOZEH-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.58
Rot. Bonds3

About 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide

3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide (PubChem CID 167785991) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide
PubChem CID167785991
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide
SMILESCc1ccc2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(F)c3)c2n1
InChIInChI=1S/C17H14FN3O3S/c1-10-5-6-11-3-2-4-14(16(11)20-10)21-17(22)12-7-8-15(13(18)9-12)25(19,23)24/h2-9H,1H3,(H,21,22)(H2,19,23,24)
InChIKeyGKQVLBXNPNOZEH-UHFFFAOYSA-N
XLogP2.58
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
4-(ethylamino)-N-(2-methylquinolin-8-yl)benzamide
CID 118902356
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710
4-fluoro-N-(2-fluorophenyl)-3-sulfamoylbenzamide
CID 38765202
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide (CID 167785991) is 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide is Cc1ccc2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(F)c3)c2n1.
What is the InChIKey of 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide?
The InChIKey is GKQVLBXNPNOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-10-5-6-11-3-2-4-14(16(11)20-10)21-17(22)12-7-8-15(13(18)9-12)25(19,23)24/h2-9H,1H3,(H,21,22)(H2,19,23,24).
What are the key properties of 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide?
3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide has a molecular weight of 359.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylquinolin-8-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 167785991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).