N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide

C23H24FNO2S — CID 162407658

IUPACN-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H24FNO2S/c1-18-12-14-22(15-13-18)28(26,27)25-16-6-11-23(19-7-3-2-4-8-19)20-9-5-10-21(24)17-20/h2-5,7-10,12-15,17,23,25H,6,11,16H2,1H3
InChIKeyLPVWYONGHVPFNY-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.02
Rot. Bonds8

About N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide

N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide (PubChem CID 162407658) has the molecular formula C23H24FNO2S and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide
PubChem CID162407658
Molecular FormulaC23H24FNO2S
Molecular Weight397.52 g/mol
Exact Mass397.15
IUPAC NameN-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H24FNO2S/c1-18-12-14-22(15-13-18)28(26,27)25-16-6-11-23(19-7-3-2-4-8-19)20-9-5-10-21(24)17-20/h2-5,7-10,12-15,17,23,25H,6,11,16H2,1H3
InChIKeyLPVWYONGHVPFNY-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.02
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-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide (CID 162407658) is N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCC(c2ccccc2)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is LPVWYONGHVPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2S/c1-18-12-14-22(15-13-18)28(26,27)25-16-6-11-23(19-7-3-2-4-8-19)20-9-5-10-21(24)17-20/h2-5,7-10,12-15,17,23,25H,6,11,16H2,1H3.
What are the key properties of N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide?
N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).