N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

C18H29NO2S — CID 6733441

IUPACN-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO2S/c1-4-18(2,3)16-10-12-17(13-11-16)22(20,21)19-14-15-8-6-5-7-9-15/h10-13,15,19H,4-9,14H2,1-3H3
InChIKeyQKLVIIUNCFHISY-UHFFFAOYSA-N
MW323.50 g/mol
LogP4.23
Rot. Bonds6

About N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 6733441) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID6733441
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC NameN-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO2S/c1-4-18(2,3)16-10-12-17(13-11-16)22(20,21)19-14-15-8-6-5-7-9-15/h10-13,15,19H,4-9,14H2,1-3H3
InChIKeyQKLVIIUNCFHISY-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 6733441) is N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is QKLVIIUNCFHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-4-18(2,3)16-10-12-17(13-11-16)22(20,21)19-14-15-8-6-5-7-9-15/h10-13,15,19H,4-9,14H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 323.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 6733441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).