3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

C13H18FNO2S — CID 114545307

IUPAC3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1F
InChIInChI=1S/C13H18FNO2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7H2,1-2H3
InChIKeyYDYUSOBFLGULRR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds3

About 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545307) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545307
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1F
InChIInChI=1S/C13H18FNO2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7H2,1-2H3
InChIKeyYDYUSOBFLGULRR-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 55100399
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545307) is 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is YDYUSOBFLGULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).