4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide

C19H25NO4S2 — CID 71762025

IUPAC4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO4S2/c1-5-16(4)19(25(21,22)17-10-6-14(2)7-11-17)20-26(23,24)18-12-8-15(3)9-13-18/h6-13,16,19-20H,5H2,1-4H3
InChIKeyPHDNIJDSINOFBO-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.43
Rot. Bonds7

About 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide

4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide (PubChem CID 71762025) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
PubChem CID71762025
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO4S2/c1-5-16(4)19(25(21,22)17-10-6-14(2)7-11-17)20-26(23,24)18-12-8-15(3)9-13-18/h6-13,16,19-20H,5H2,1-4H3
InChIKeyPHDNIJDSINOFBO-UHFFFAOYSA-N
XLogP3.43
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]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-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
N-[(2R,3S)-1,4-dihydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11437252
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
4-methyl-N-[(2R,3R)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 41255102
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
butan-2-yl 3-[(4-methylphenyl)sulfonylamino]butanoate
CID 70166955

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide (CID 71762025) is 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide is CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide?
The InChIKey is PHDNIJDSINOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-5-16(4)19(25(21,22)17-10-6-14(2)7-11-17)20-26(23,24)18-12-8-15(3)9-13-18/h6-13,16,19-20H,5H2,1-4H3.
What are the key properties of 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide?
4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide is sourced from PubChem (CID 71762025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).