N-(3-hydroxyphenyl)methanesulfonamide

C7H9NO3S — CID 836758

IUPACN-(3-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C7H9NO3S/c1-12(10,11)8-6-3-2-4-7(9)5-6/h2-5,8-9H,1H3
InChIKeyDJQWZMOQUBMZGR-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.76
Rot. Bonds2

About N-(3-hydroxyphenyl)methanesulfonamide

N-(3-hydroxyphenyl)methanesulfonamide (PubChem CID 836758) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)methanesulfonamide
PubChem CID836758
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC NameN-(3-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C7H9NO3S/c1-12(10,11)8-6-3-2-4-7(9)5-6/h2-5,8-9H,1H3
InChIKeyDJQWZMOQUBMZGR-UHFFFAOYSA-N
XLogP0.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)methanesulfonamide (CID 836758) is N-(3-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)methanesulfonamide?
The InChIKey is DJQWZMOQUBMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-12(10,11)8-6-3-2-4-7(9)5-6/h2-5,8-9H,1H3.
What are the key properties of N-(3-hydroxyphenyl)methanesulfonamide?
N-(3-hydroxyphenyl)methanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 836758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).