N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide

C23H24FNO4S — CID 139532550

IUPACN-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H24FNO4S/c1-29-21-13-15-22(16-14-21)30(27,28)25(20-6-3-2-4-7-20)17-5-8-23(26)18-9-11-19(24)12-10-18/h2-4,6-7,9-16,23,26H,5,8,17H2,1H3
InChIKeyMMDSFLSQVYLSBS-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.54
Rot. Bonds9

About N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide

N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 139532550) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID139532550
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H24FNO4S/c1-29-21-13-15-22(16-14-21)30(27,28)25(20-6-3-2-4-7-20)17-5-8-23(26)18-9-11-19(24)12-10-18/h2-4,6-7,9-16,23,26H,5,8,17H2,1H3
InChIKeyMMDSFLSQVYLSBS-UHFFFAOYSA-N
XLogP4.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide (CID 139532550) is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is MMDSFLSQVYLSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-29-21-13-15-22(16-14-21)30(27,28)25(20-6-3-2-4-7-20)17-5-8-23(26)18-9-11-19(24)12-10-18/h2-4,6-7,9-16,23,26H,5,8,17H2,1H3.
What are the key properties of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide?
N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).