N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide

C26H23NO2S — CID 162402411

IUPACN-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23NO2S/c1-21-12-18-26(19-13-21)30(28,29)27(20-22-8-4-2-5-9-22)25-16-14-24(15-17-25)23-10-6-3-7-11-23/h2-19H,20H2,1H3
InChIKeySSPTZKKYQJASMY-UHFFFAOYSA-N
MW413.54 g/mol
LogP6.06
Rot. Bonds6

About N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide

N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide (PubChem CID 162402411) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
PubChem CID162402411
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC NameN-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23NO2S/c1-21-12-18-26(19-13-21)30(28,29)27(20-22-8-4-2-5-9-22)25-16-14-24(15-17-25)23-10-6-3-7-11-23/h2-19H,20H2,1H3
InChIKeySSPTZKKYQJASMY-UHFFFAOYSA-N
XLogP6.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-benzyl-N-[5-[5-[5-[benzyl-(4-methylphenyl)sulfonylamino]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-methylbenzenesulfonamide
CID 132562198
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide (CID 162402411) is N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide?
The InChIKey is SSPTZKKYQJASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2S/c1-21-12-18-26(19-13-21)30(28,29)27(20-22-8-4-2-5-9-22)25-16-14-24(15-17-25)23-10-6-3-7-11-23/h2-19H,20H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide?
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 162402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).