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

C20H19NO3S — CID 119025594

IUPACN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccc(CO)c2)cc1)c1ccccc1
InChIInChI=1S/C20H19NO3S/c22-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-25(23,24)20-7-2-1-3-8-20/h1-13,21-22H,14-15H2
InChIKeyCOEMTPKQUSKJIS-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.32
Rot. Bonds6

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

N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide (PubChem CID 119025594) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide
PubChem CID119025594
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccc(CO)c2)cc1)c1ccccc1
InChIInChI=1S/C20H19NO3S/c22-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-25(23,24)20-7-2-1-3-8-20/h1-13,21-22H,14-15H2
InChIKeyCOEMTPKQUSKJIS-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide (CID 119025594) is N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2cccc(CO)c2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is COEMTPKQUSKJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-25(23,24)20-7-2-1-3-8-20/h1-13,21-22H,14-15H2.
What are the key properties of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide?
N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 119025594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).