4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide

C18H23NO2S — CID 19680813

IUPAC4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)13-16-9-11-18(12-10-16)22(20,21)19-15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3
InChIKeyUUEXQUNNGNGBTA-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.92
Rot. Bonds6

About 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide

4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 19680813) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID19680813
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)13-16-9-11-18(12-10-16)22(20,21)19-15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3
InChIKeyUUEXQUNNGNGBTA-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-N-(1-phenylethyl)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

4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 625966
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide (CID 19680813) is 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is UUEXQUNNGNGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14(2)13-16-9-11-18(12-10-16)22(20,21)19-15(3)17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide?
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 19680813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).