N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide

C23H25NO2S — CID 10915878

IUPACN-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23-24H,8,13,18H2,1H3
InChIKeyLGMUNTGZSHFMQL-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.89
Rot. Bonds8

About N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide

N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide (PubChem CID 10915878) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide
PubChem CID10915878
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23-24H,8,13,18H2,1H3
InChIKeyLGMUNTGZSHFMQL-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide (CID 10915878) is N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide?
The InChIKey is LGMUNTGZSHFMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-19-14-16-22(17-15-19)27(25,26)24-18-8-13-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,23-24H,8,13,18H2,1H3.
What are the key properties of N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide?
N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diphenylbutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10915878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).