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

C19H16FNO3S — CID 25098361

IUPAC4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H16FNO3S/c20-19-7-2-1-6-18(19)15-8-10-17(11-9-15)25(23,24)21-16-5-3-4-14(12-16)13-22/h1-12,21-22H,13H2
InChIKeyXPJUZKAYNJYKSQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.79
Rot. Bonds5

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

4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25098361) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25098361
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C19H16FNO3S/c20-19-7-2-1-6-18(19)15-8-10-17(11-9-15)25(23,24)21-16-5-3-4-14(12-16)13-22/h1-12,21-22H,13H2
InChIKeyXPJUZKAYNJYKSQ-UHFFFAOYSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-[4-[(2-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156019990
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097268
2',4'-dichloro-N-(3-(hydroxymethyl)phenyl)biphenyl-4-sulfonamide
CID 25097269
4-(4-bromo-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097521
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 25098083
N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
CID 25098084
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25098361) is 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is XPJUZKAYNJYKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c20-19-7-2-1-6-18(19)15-8-10-17(11-9-15)25(23,24)21-16-5-3-4-14(12-16)13-22/h1-12,21-22H,13H2.
What are the key properties of 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25098361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).