N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

C23H25NO4S — CID 10319439

IUPACN-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO4S/c1-16-7-10-22(11-8-16)29(25,26)24(23-12-17(2)6-9-18(23)3)19-13-20(27-4)15-21(14-19)28-5/h6-15H,1-5H3
InChIKeyHZVRTBTWULAFMM-UHFFFAOYSA-N
MW411.52 g/mol
LogP5.16
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 10319439) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID10319439
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO4S/c1-16-7-10-22(11-8-16)29(25,26)24(23-12-17(2)6-9-18(23)3)19-13-20(27-4)15-21(14-19)28-5/h6-15H,1-5H3
InChIKeyHZVRTBTWULAFMM-UHFFFAOYSA-N
XLogP5.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 10455978
N-but-2-ynyl-N-(3,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 134969151
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
N-[(2-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 166067938
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19211422
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-[(E)-3-hydroxyprop-1-enyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 102471634

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (CID 10319439) is N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is COc1cc(OC)cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HZVRTBTWULAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-16-7-10-22(11-8-16)29(25,26)24(23-12-17(2)6-9-18(23)3)19-13-20(27-4)15-21(14-19)28-5/h6-15H,1-5H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?
N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10319439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).