(3-amino-2-chlorophenyl)sulfamic acid

C6H7ClN2O3S — CID 57275519

IUPAC(3-amino-2-chlorophenyl)sulfamic acid
SMILESNc1cccc(NS(=O)(=O)O)c1Cl
InChIInChI=1S/C6H7ClN2O3S/c7-6-4(8)2-1-3-5(6)9-13(10,11)12/h1-3,9H,8H2,(H,10,11,12)
InChIKeyLLNVPQFPIYITOQ-UHFFFAOYSA-N
MW222.65 g/mol
LogP1.14
Rot. Bonds2

About (3-amino-2-chlorophenyl)sulfamic acid

(3-amino-2-chlorophenyl)sulfamic acid (PubChem CID 57275519) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)sulfamic acid.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)sulfamic acid
PubChem CID57275519
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name(3-amino-2-chlorophenyl)sulfamic acid
SMILESNc1cccc(NS(=O)(=O)O)c1Cl
InChIInChI=1S/C6H7ClN2O3S/c7-6-4(8)2-1-3-5(6)9-13(10,11)12/h1-3,9H,8H2,(H,10,11,12)
InChIKeyLLNVPQFPIYITOQ-UHFFFAOYSA-N
XLogP1.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 114270035
1-(2-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 62021843
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578
2-chlorobenzene-1,3-diamine;dihydrochloride
CID 141430940
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
bis(2-N-methylbenzene-1,2-diamine);sulfuric acid
CID 157216525
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705
N-(2-chloro-3-propanoylphenyl)methanesulfonamide
CID 70986123
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
CID 60984177

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)sulfamic acid?
The IUPAC name of (3-amino-2-chlorophenyl)sulfamic acid (CID 57275519) is (3-amino-2-chlorophenyl)sulfamic acid.
What is the SMILES notation for (3-amino-2-chlorophenyl)sulfamic acid?
The canonical SMILES for (3-amino-2-chlorophenyl)sulfamic acid is Nc1cccc(NS(=O)(=O)O)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)sulfamic acid?
The InChIKey is LLNVPQFPIYITOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c7-6-4(8)2-1-3-5(6)9-13(10,11)12/h1-3,9H,8H2,(H,10,11,12).
What are the key properties of (3-amino-2-chlorophenyl)sulfamic acid?
(3-amino-2-chlorophenyl)sulfamic acid has a molecular weight of 222.65 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)sulfamic acid is sourced from PubChem (CID 57275519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).