N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide

C20H19NO3S — CID 25098362

IUPACN-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CO)c3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)25(23,24)21-19-4-2-3-16(13-19)14-22/h2-13,21-22H,14H2,1H3
InChIKeySMYLZNHIXOJDLE-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.96
Rot. Bonds5

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

N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 25098362) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
PubChem CID25098362
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CO)c3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)25(23,24)21-19-4-2-3-16(13-19)14-22/h2-13,21-22H,14H2,1H3
InChIKeySMYLZNHIXOJDLE-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.96
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-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide (CID 25098362) is N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CO)c3)cc2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is SMYLZNHIXOJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-5-7-17(8-6-15)18-9-11-20(12-10-18)25(23,24)21-19-4-2-3-16(13-19)14-22/h2-13,21-22H,14H2,1H3.
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.96, 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-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 25098362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).