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

C19H16ClNO3S — CID 25097270

IUPAC4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-17-8-4-15(5-9-17)16-6-10-19(11-7-16)25(23,24)21-18-3-1-2-14(12-18)13-22/h1-12,21-22H,13H2
InChIKeyJNMANBHAWSQRJA-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.30
Rot. Bonds5

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

4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25097270) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25097270
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-17-8-4-15(5-9-17)16-6-10-19(11-7-16)25(23,24)21-18-3-1-2-14(12-18)13-22/h1-12,21-22H,13H2
InChIKeyJNMANBHAWSQRJA-UHFFFAOYSA-N
XLogP4.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
2',4'-dichloro-N-(3-(hydroxymethyl)phenyl)biphenyl-4-sulfonamide
CID 25097269
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
N-[3-(hydroxymethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 25097271
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097524
4-(4-bromophenyl)-N-[2-chloro-3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097526
4-(4-bromophenyl)-N-[2-chloro-5-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097804

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25097270) is 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is JNMANBHAWSQRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-17-8-4-15(5-9-17)16-6-10-19(11-7-16)25(23,24)21-18-3-1-2-14(12-18)13-22/h1-12,21-22H,13H2.
What are the key properties of 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25097270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).