N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide

C19H25NO4S — CID 3875911

IUPACN-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C19H25NO4S/c1-5-6-7-15-8-10-17(14(2)12-15)20-25(21,22)19-13-16(23-3)9-11-18(19)24-4/h8-13,20H,5-7H2,1-4H3
InChIKeyHXJUWHDEANDZQP-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.16
Rot. Bonds8

About N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide

N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 3875911) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID3875911
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C19H25NO4S/c1-5-6-7-15-8-10-17(14(2)12-15)20-25(21,22)19-13-16(23-3)9-11-18(19)24-4/h8-13,20H,5-7H2,1-4H3
InChIKeyHXJUWHDEANDZQP-UHFFFAOYSA-N
XLogP4.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide 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-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 3800268
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(4-butyl-2-methylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 3750075
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 3597119
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
5-bromo-N-(4-butyl-2-methylphenyl)thiophene-2-sulfonamide
CID 4584867
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 3875911) is N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is HXJUWHDEANDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-6-7-15-8-10-17(14(2)12-15)20-25(21,22)19-13-16(23-3)9-11-18(19)24-4/h8-13,20H,5-7H2,1-4H3.
What are the key properties of N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3875911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).