4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide

C27H25NO2S — CID 134927453

IUPAC4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO2S/c1-20-8-12-24(13-9-20)27(28-31(29,30)26-18-10-21(2)11-19-26)25-16-14-23(15-17-25)22-6-4-3-5-7-22/h3-19,27-28H,1-2H3
InChIKeyQUCAFJUDMCKWIA-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.04
Rot. Bonds6

About 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide

4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide (PubChem CID 134927453) has the molecular formula C27H25NO2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
PubChem CID134927453
Molecular FormulaC27H25NO2S
Molecular Weight427.57 g/mol
Exact Mass427.16
IUPAC Name4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO2S/c1-20-8-12-24(13-9-20)27(28-31(29,30)26-18-10-21(2)11-19-26)25-16-14-23(15-17-25)22-6-4-3-5-7-22/h3-19,27-28H,1-2H3
InChIKeyQUCAFJUDMCKWIA-UHFFFAOYSA-N
XLogP6.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-4-phenylbenzenesulfonamide
CID 56549741
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide (CID 134927453) is 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide is Cc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide?
The InChIKey is QUCAFJUDMCKWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2S/c1-20-8-12-24(13-9-20)27(28-31(29,30)26-18-10-21(2)11-19-26)25-16-14-23(15-17-25)22-6-4-3-5-7-22/h3-19,27-28H,1-2H3.
What are the key properties of 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 134927453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).