N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide

C16H19NO4S — CID 19683549

IUPACN-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-11-5-6-13(9-12(11)2)17-22(18,19)16-8-7-14(20-3)10-15(16)21-4/h5-10,17H,1-4H3
InChIKeyWHQDUYVLGJEWLO-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide

N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 19683549) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID19683549
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-11-5-6-13(9-12(11)2)17-22(18,19)16-8-7-14(20-3)10-15(16)21-4/h5-10,17H,1-4H3
InChIKeyWHQDUYVLGJEWLO-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-2,4-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-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 110730767
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide (CID 19683549) is N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WHQDUYVLGJEWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-5-6-13(9-12(11)2)17-22(18,19)16-8-7-14(20-3)10-15(16)21-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide?
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 19683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).