N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide

C16H25NO2S — CID 112820136

IUPACN-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-16(11-9-14)20(18,19)17(3)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyIKMMGOMCEYECFU-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.45
Rot. Bonds5

About N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide

N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 112820136) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID112820136
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-16(11-9-14)20(18,19)17(3)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyIKMMGOMCEYECFU-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782597
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 43598434
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide (CID 112820136) is N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is IKMMGOMCEYECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-16(11-9-14)20(18,19)17(3)15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 112820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).