(3-methylphenyl)sulfamic acid

C7H9NO3S — CID 10307955

IUPAC(3-methylphenyl)sulfamic acid
SMILESCc1cccc(NS(=O)(=O)O)c1
InChIInChI=1S/C7H9NO3S/c1-6-3-2-4-7(5-6)8-12(9,10)11/h2-5,8H,1H3,(H,9,10,11)
InChIKeyUPHCJQPBZLPEHG-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.21
Rot. Bonds2

About (3-methylphenyl)sulfamic acid

(3-methylphenyl)sulfamic acid (PubChem CID 10307955) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is (3-methylphenyl)sulfamic acid.

Molecular Properties

Compound Name(3-methylphenyl)sulfamic acid
PubChem CID10307955
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name(3-methylphenyl)sulfamic acid
SMILESCc1cccc(NS(=O)(=O)O)c1
InChIInChI=1S/C7H9NO3S/c1-6-3-2-4-7(5-6)8-12(9,10)11/h2-5,8H,1H3,(H,9,10,11)
InChIKeyUPHCJQPBZLPEHG-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (3-methylphenyl)sulfamic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3-acetylphenyl)sulfamic acid
CID 12629151
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
CID 142166651
sulfuric acid;1,3-xylene
CID 70361760
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
phenylsulfamic acid
CID 160771078
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
N-(2-chloroethylsulfamoyl)-3-methylaniline
CID 58039057
N-(3-methylphenyl)acetamide
CID 10843
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)sulfamic acid?
The IUPAC name of (3-methylphenyl)sulfamic acid (CID 10307955) is (3-methylphenyl)sulfamic acid.
What is the SMILES notation for (3-methylphenyl)sulfamic acid?
The canonical SMILES for (3-methylphenyl)sulfamic acid is Cc1cccc(NS(=O)(=O)O)c1.
What is the InChIKey of (3-methylphenyl)sulfamic acid?
The InChIKey is UPHCJQPBZLPEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-6-3-2-4-7(5-6)8-12(9,10)11/h2-5,8H,1H3,(H,9,10,11).
What are the key properties of (3-methylphenyl)sulfamic acid?
(3-methylphenyl)sulfamic acid has a molecular weight of 187.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)sulfamic acid is sourced from PubChem (CID 10307955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).