(2-methylphenyl)sulfamic acid;hydrochloride

C7H10ClNO3S — CID 174841873

IUPAC(2-methylphenyl)sulfamic acid;hydrochloride
SMILESCc1ccccc1NS(=O)(=O)O.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-6-4-2-3-5-7(6)8-12(9,10)11;/h2-5,8H,1H3,(H,9,10,11);1H
InChIKeyAYYYSNNUBXEVOT-UHFFFAOYSA-N
MW223.68 g/mol
LogP1.63
Rot. Bonds2

About (2-methylphenyl)sulfamic acid;hydrochloride

(2-methylphenyl)sulfamic acid;hydrochloride (PubChem CID 174841873) has the molecular formula C7H10ClNO3S and a molecular weight of 223.68 g/mol. Its IUPAC name is (2-methylphenyl)sulfamic acid;hydrochloride.

Molecular Properties

Compound Name(2-methylphenyl)sulfamic acid;hydrochloride
PubChem CID174841873
Molecular FormulaC7H10ClNO3S
Molecular Weight223.68 g/mol
Exact Mass223.01
IUPAC Name(2-methylphenyl)sulfamic acid;hydrochloride
SMILESCc1ccccc1NS(=O)(=O)O.Cl
InChIInChI=1S/C7H9NO3S.ClH/c1-6-4-2-3-5-7(6)8-12(9,10)11;/h2-5,8H,1H3,(H,9,10,11);1H
InChIKeyAYYYSNNUBXEVOT-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
sulfuric acid;bis(1,2-xylene)
CID 174805286
2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline
CID 143467625
N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide
CID 90121553
4-(2-methylanilino)benzenesulfonic acid
CID 53426443
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N,N'-bis(2-methylphenyl)-1-nitromethanedisulfonamide
CID 90121515
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
2-methylbenzenesulfonic acid;bis(N-methylmethanamine);hydrochloride
CID 173034750
4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
CID 86634478

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)sulfamic acid;hydrochloride?
The IUPAC name of (2-methylphenyl)sulfamic acid;hydrochloride (CID 174841873) is (2-methylphenyl)sulfamic acid;hydrochloride.
What is the SMILES notation for (2-methylphenyl)sulfamic acid;hydrochloride?
The canonical SMILES for (2-methylphenyl)sulfamic acid;hydrochloride is Cc1ccccc1NS(=O)(=O)O.Cl.
What is the InChIKey of (2-methylphenyl)sulfamic acid;hydrochloride?
The InChIKey is AYYYSNNUBXEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S.ClH/c1-6-4-2-3-5-7(6)8-12(9,10)11;/h2-5,8H,1H3,(H,9,10,11);1H.
What are the key properties of (2-methylphenyl)sulfamic acid;hydrochloride?
(2-methylphenyl)sulfamic acid;hydrochloride has a molecular weight of 223.68 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)sulfamic acid;hydrochloride is sourced from PubChem (CID 174841873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).