N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide

C11H17NO3S — CID 14848926

IUPACN-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-4-9-16(14,15)12(2)10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3
InChIKeyAYGIIEHTWADMEE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.96
Rot. Bonds5

About N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide

N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide (PubChem CID 14848926) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide
PubChem CID14848926
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-4-9-16(14,15)12(2)10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3
InChIKeyAYGIIEHTWADMEE-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide (CID 14848926) is N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide?
The InChIKey is AYGIIEHTWADMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-4-9-16(14,15)12(2)10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide?
N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 14848926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).