4-methyl-N-pentan-2-ylbenzenesulfonamide

C12H19NO2S — CID 3703019

IUPAC4-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
InChIKeyODMWZCBRHGGIGM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.46
Rot. Bonds5

About 4-methyl-N-pentan-2-ylbenzenesulfonamide

4-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 3703019) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID3703019
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
InChIKeyODMWZCBRHGGIGM-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-pentan-2-ylbenzenesulfonamide (CID 3703019) is 4-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is ODMWZCBRHGGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3.
What are the key properties of 4-methyl-N-pentan-2-ylbenzenesulfonamide?
4-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).