3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide

C22H23NO4S — CID 4626268

IUPAC3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-16-5-9-18(10-6-16)23(19-11-7-17(2)8-12-19)28(24,25)20-13-14-21(26-3)22(15-20)27-4/h5-15H,1-4H3
InChIKeyJBTWKZVQXXVHAJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.85
Rot. Bonds6

About 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide

3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide (PubChem CID 4626268) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
PubChem CID4626268
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-16-5-9-18(10-6-16)23(19-11-7-17(2)8-12-19)28(24,25)20-13-14-21(26-3)22(15-20)27-4/h5-15H,1-4H3
InChIKeyJBTWKZVQXXVHAJ-UHFFFAOYSA-N
XLogP4.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethoxy-N,N-bis(4-methylphenyl)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

N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 174695598
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92676228
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxyethyl)acetamide
CID 2261079
N-[(2R)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2260081
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 2260743

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide (CID 4626268) is 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide?
The InChIKey is JBTWKZVQXXVHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-16-5-9-18(10-6-16)23(19-11-7-17(2)8-12-19)28(24,25)20-13-14-21(26-3)22(15-20)27-4/h5-15H,1-4H3.
What are the key properties of 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide?
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 4626268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).