N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide

C18H14ClNO3S — CID 56941275

IUPACN-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14ClNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyFRRKBAFGWLALFO-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.51
Rot. Bonds4

About N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide

N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide (PubChem CID 56941275) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
PubChem CID56941275
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14ClNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyFRRKBAFGWLALFO-UHFFFAOYSA-N
XLogP4.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide (CID 56941275) is N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is FRRKBAFGWLALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-17-12-15(21)8-11-18(17)20-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,20-21H.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide?
N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 359.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 56941275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).