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

C19H16BrNO3S — CID 25097033

IUPAC4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H16BrNO3S/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
InChIKeyYGXOEYQPJCYRSZ-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.41
Rot. Bonds5

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

4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25097033) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25097033
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC Name4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H16BrNO3S/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
InChIKeyYGXOEYQPJCYRSZ-UHFFFAOYSA-N
XLogP4.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25097033) is 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is YGXOEYQPJCYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/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-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 418.31 g/mol, XLogP of 4.41, 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)phenyl]benzenesulfonamide is sourced from PubChem (CID 25097033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).