N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C24H27NO5S — CID 10455978

IUPACN-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H27NO5S/c1-16-8-11-20(12-9-16)31(26,27)25(21-13-17(2)7-10-18(21)3)19-14-22(28-4)24(30-6)23(15-19)29-5/h7-15H,1-6H3
InChIKeyKLJQQDSAZWNBCQ-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.16
Rot. Bonds7

About N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 10455978) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID10455978
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H27NO5S/c1-16-8-11-20(12-9-16)31(26,27)25(21-13-17(2)7-10-18(21)3)19-14-22(28-4)24(30-6)23(15-19)29-5/h7-15H,1-6H3
InChIKeyKLJQQDSAZWNBCQ-UHFFFAOYSA-N
XLogP5.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 10319439
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
N-(2,2-dimethoxyethyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 10983024
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
N-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 91547524
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43894513
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
(E)-N-(benzenesulfonyl)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 19219589
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 10455978) is N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is KLJQQDSAZWNBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-16-8-11-20(12-9-16)31(26,27)25(21-13-17(2)7-10-18(21)3)19-14-22(28-4)24(30-6)23(15-19)29-5/h7-15H,1-6H3.
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10455978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).