N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

C13H13NO3S — CID 2321747

IUPACN-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO3S/c1-14(11-7-9-12(15)10-8-11)18(16,17)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeyKEXHDBRVBCNPPY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.22
Rot. Bonds3

About N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 2321747) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID2321747
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO3S/c1-14(11-7-9-12(15)10-8-11)18(16,17)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKeyKEXHDBRVBCNPPY-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 2321747) is N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is KEXHDBRVBCNPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-14(11-7-9-12(15)10-8-11)18(16,17)13-5-3-2-4-6-13/h2-10,15H,1H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 2321747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).