N-hydroxy-4-methylbenzenesulfonamide

C7H9NO3S — CID 10081163

IUPACN-hydroxy-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3
InChIKeyXMJJPCJUQLGGND-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.66
Rot. Bonds2

About N-hydroxy-4-methylbenzenesulfonamide

N-hydroxy-4-methylbenzenesulfonamide (PubChem CID 10081163) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-hydroxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-4-methylbenzenesulfonamide
PubChem CID10081163
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC NameN-hydroxy-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3
InChIKeyXMJJPCJUQLGGND-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methylbenzenesulfonamide?
The IUPAC name of N-hydroxy-4-methylbenzenesulfonamide (CID 10081163) is N-hydroxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-hydroxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-hydroxy-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-methylbenzenesulfonamide?
The InChIKey is XMJJPCJUQLGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3.
What are the key properties of N-hydroxy-4-methylbenzenesulfonamide?
N-hydroxy-4-methylbenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 10081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).