4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

C23H24ClNO5S — CID 2533151

IUPAC4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(OC)c(OC)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClNO5S/c1-16-13-22(29-3)23(30-4)14-17(16)15-25(19-7-9-20(28-2)10-8-19)31(26,27)21-11-5-18(24)6-12-21/h5-14H,15H2,1-4H3
InChIKeyKZWMOLNBGZEVFP-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.07
Rot. Bonds8

About 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2533151) has the molecular formula C23H24ClNO5S and a molecular weight of 461.97 g/mol. Its IUPAC name is 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2533151
Molecular FormulaC23H24ClNO5S
Molecular Weight461.97 g/mol
Exact Mass461.11
IUPAC Name4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(OC)c(OC)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClNO5S/c1-16-13-22(29-3)23(30-4)14-17(16)15-25(19-7-9-20(28-2)10-8-19)31(26,27)21-11-5-18(24)6-12-21/h5-14H,15H2,1-4H3
InChIKeyKZWMOLNBGZEVFP-UHFFFAOYSA-N
XLogP5.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)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-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 42841941
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
CID 50891344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 2533151) is 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2cc(OC)c(OC)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is KZWMOLNBGZEVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO5S/c1-16-13-22(29-3)23(30-4)14-17(16)15-25(19-7-9-20(28-2)10-8-19)31(26,27)21-11-5-18(24)6-12-21/h5-14H,15H2,1-4H3.
What are the key properties of 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 461.97 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2533151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).