4-ethyl-N-pentan-2-ylbenzenesulfonamide

C13H21NO2S — CID 19681870

IUPAC4-ethyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H21NO2S/c1-4-6-11(3)14-17(15,16)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3
InChIKeyJYQVJCHBIOMRFP-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.72
Rot. Bonds6

About 4-ethyl-N-pentan-2-ylbenzenesulfonamide

4-ethyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 19681870) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-ethyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID19681870
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-ethyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H21NO2S/c1-4-6-11(3)14-17(15,16)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3
InChIKeyJYQVJCHBIOMRFP-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-pentan-2-ylbenzenesulfonamide 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-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 79185646
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-ethyl-N-pentan-2-ylbenzenesulfonamide (CID 19681870) is 4-ethyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is JYQVJCHBIOMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-6-11(3)14-17(15,16)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-N-pentan-2-ylbenzenesulfonamide?
4-ethyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19681870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).