5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide

C13H16ClFN2O3S — CID 65380196

IUPAC5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CCCC1
InChIInChI=1S/C13H16ClFN2O3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(14)7-10(11(9)15)21(16,19)20/h6-7H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPHJQUQYKGSVWLW-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.19
Rot. Bonds3

About 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide

5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide (PubChem CID 65380196) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
PubChem CID65380196
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CCCC1
InChIInChI=1S/C13H16ClFN2O3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(14)7-10(11(9)15)21(16,19)20/h6-7H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPHJQUQYKGSVWLW-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
CID 65379790
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65398826
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
propan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65380009
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65397672
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179811
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide (CID 65380196) is 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide is CC1(NC(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CCCC1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide?
The InChIKey is PHJQUQYKGSVWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(14)7-10(11(9)15)21(16,19)20/h6-7H,2-5H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide?
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide has a molecular weight of 334.80 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65380196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).