N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C25H18Cl2FNO3S — CID 146601019

IUPACN-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C25H18Cl2FNO3S/c26-20-14-21(27)25(30)24(15-20)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2
InChIKeyXXJGVIRSPWCLAL-UHFFFAOYSA-N
MW502.39 g/mol
LogP6.90
Rot. Bonds6

About N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146601019) has the molecular formula C25H18Cl2FNO3S and a molecular weight of 502.39 g/mol. Its IUPAC name is N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146601019
Molecular FormulaC25H18Cl2FNO3S
Molecular Weight502.39 g/mol
Exact Mass501.04
IUPAC NameN-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C25H18Cl2FNO3S/c26-20-14-21(27)25(30)24(15-20)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2
InChIKeyXXJGVIRSPWCLAL-UHFFFAOYSA-N
XLogP6.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.39
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146601019) is N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is XXJGVIRSPWCLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2FNO3S/c26-20-14-21(27)25(30)24(15-20)33(31,32)29(16-17-7-3-1-4-8-17)23-13-19(11-12-22(23)28)18-9-5-2-6-10-18/h1-15,30H,16H2.
What are the key properties of N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 502.39 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146601019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).