N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide

C16H24FNO2S — CID 78982767

IUPACN-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2S/c1-13(2)11-12-18(15-5-3-4-6-15)21(19,20)16-9-7-14(17)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3
InChIKeyZXFPTOOIAXVOIA-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.81
Rot. Bonds6

About N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide

N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 78982767) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
PubChem CID78982767
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC NameN-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2S/c1-13(2)11-12-18(15-5-3-4-6-15)21(19,20)16-9-7-14(17)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3
InChIKeyZXFPTOOIAXVOIA-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 78982765
N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
CID 78996134
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
3-amino-N-cyclopentyl-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103306540
6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 115602563
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301485
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide (CID 78982767) is N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is ZXFPTOOIAXVOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-13(2)11-12-18(15-5-3-4-6-15)21(19,20)16-9-7-14(17)8-10-16/h7-10,13,15H,3-6,11-12H2,1-2H3.
What are the key properties of N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide?
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 313.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 78982767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).