4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

C20H18BrNO3S — CID 25097268

IUPAC4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrNO3S/c1-14-17(13-23)3-2-4-20(14)22-26(24,25)19-11-7-16(8-12-19)15-5-9-18(21)10-6-15/h2-12,22-23H,13H2,1H3
InChIKeyGRXSAJHUYACZFJ-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.72
Rot. Bonds5

About 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (PubChem CID 25097268) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
PubChem CID25097268
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC Name4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrNO3S/c1-14-17(13-23)3-2-4-20(14)22-26(24,25)19-11-7-16(8-12-19)15-5-9-18(21)10-6-15/h2-12,22-23H,13H2,1H3
InChIKeyGRXSAJHUYACZFJ-UHFFFAOYSA-N
XLogP4.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-bromo-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097521
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422
4-(4-bromophenyl)-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 24936205
4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094425
4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097033
4-(4-bromophenyl)-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25097034
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097524

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (CID 25097268) is 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is Cc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is GRXSAJHUYACZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c1-14-17(13-23)3-2-4-20(14)22-26(24,25)19-11-7-16(8-12-19)15-5-9-18(21)10-6-15/h2-12,22-23H,13H2,1H3.
What are the key properties of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 432.34 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 25097268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).