2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

C19H15ClFNO3S — CID 59571913

IUPAC2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H15ClFNO3S/c20-18-11-15(14-4-7-16(21)8-5-14)6-9-19(18)26(24,25)22-17-3-1-2-13(10-17)12-23/h1-11,22-23H,12H2
InChIKeyZSSBVPANCGNRNX-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.44
Rot. Bonds5

About 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 59571913) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID59571913
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC Name2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C19H15ClFNO3S/c20-18-11-15(14-4-7-16(21)8-5-14)6-9-19(18)26(24,25)22-17-3-1-2-13(10-17)12-23/h1-11,22-23H,12H2
InChIKeyZSSBVPANCGNRNX-UHFFFAOYSA-N
XLogP4.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 59571913) is 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is ZSSBVPANCGNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c20-18-11-15(14-4-7-16(21)8-5-14)6-9-19(18)26(24,25)22-17-3-1-2-13(10-17)12-23/h1-11,22-23H,12H2.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 391.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59571913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).