N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide

C19H17NO3S — CID 25098358

IUPACN-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c21-14-15-5-4-8-18(13-15)20-24(22,23)19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,20-21H,14H2
InChIKeyQISRVSILAPJTBL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.65
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide

N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide (PubChem CID 25098358) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide
PubChem CID25098358
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c21-14-15-5-4-8-18(13-15)20-24(22,23)19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,20-21H,14H2
InChIKeyQISRVSILAPJTBL-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.65
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 N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide (CID 25098358) is N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is QISRVSILAPJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-14-15-5-4-8-18(13-15)20-24(22,23)19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,20-21H,14H2.
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide?
N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 25098358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).