4-sulfamoylbenzenecarboximidamide;hydrochloride

C7H10ClN3O2S — CID 3027141

IUPAC4-sulfamoylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O2S.ClH/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H3,8,9)(H2,10,11,12);1H
InChIKeyGBMHPKRDLORSLD-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.04
Rot. Bonds2

About 4-sulfamoylbenzenecarboximidamide;hydrochloride

4-sulfamoylbenzenecarboximidamide;hydrochloride (PubChem CID 3027141) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 4-sulfamoylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-sulfamoylbenzenecarboximidamide;hydrochloride
PubChem CID3027141
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name4-sulfamoylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O2S.ClH/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H3,8,9)(H2,10,11,12);1H
InChIKeyGBMHPKRDLORSLD-UHFFFAOYSA-N
XLogP0.04
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-sulfamoylbenzenecarboximidamide;hydrochloride (CID 3027141) is 4-sulfamoylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-sulfamoylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-sulfamoylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-sulfamoylbenzenecarboximidamide;hydrochloride?
The InChIKey is GBMHPKRDLORSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S.ClH/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H3,8,9)(H2,10,11,12);1H.
What are the key properties of 4-sulfamoylbenzenecarboximidamide;hydrochloride?
4-sulfamoylbenzenecarboximidamide;hydrochloride has a molecular weight of 235.70 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3027141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).