N-methyl-N-pentan-2-ylbenzenesulfonamide

C12H19NO2S — CID 60763176

IUPACN-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-4-8-11(2)13(3)16(14,15)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyQNKPVRJNPJFFON-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.50
Rot. Bonds5

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

N-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 60763176) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID60763176
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-4-8-11(2)13(3)16(14,15)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyQNKPVRJNPJFFON-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-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

N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
CID 63225180
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
2-hydrazinyl-N-methyl-N-pentan-2-ylpyrimidine-5-sulfonamide
CID 61329895
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
4-hydroxy-N-methyl-3-nitro-N-pentan-2-ylbenzenesulfonamide
CID 43430440

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-N-pentan-2-ylbenzenesulfonamide (CID 60763176) is N-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is QNKPVRJNPJFFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-8-11(2)13(3)16(14,15)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of N-methyl-N-pentan-2-ylbenzenesulfonamide?
N-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60763176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).