4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride

C8H10Cl2N4O3S — CID 19096090

IUPAC4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9ClN4O3S.ClH/c9-5-2-1-4(7(14)13-8(10)11)3-6(5)17(12,15)16;/h1-3H,(H2,12,15,16)(H4,10,11,13,14);1H
InChIKeyUINYVVAXQDKUNQ-UHFFFAOYSA-N
MW313.17 g/mol
LogP-0.18
Rot. Bonds2

About 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride

4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride (PubChem CID 19096090) has the molecular formula C8H10Cl2N4O3S and a molecular weight of 313.17 g/mol. Its IUPAC name is 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
PubChem CID19096090
Molecular FormulaC8H10Cl2N4O3S
Molecular Weight313.17 g/mol
Exact Mass311.99
IUPAC Name4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H9ClN4O3S.ClH/c9-5-2-1-4(7(14)13-8(10)11)3-6(5)17(12,15)16;/h1-3H,(H2,12,15,16)(H4,10,11,13,14);1H
InChIKeyUINYVVAXQDKUNQ-UHFFFAOYSA-N
XLogP-0.18
TPSA141.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 5-0.18
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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Related Compounds

2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
CID 22376922
N-(diaminomethylidene)-4-hydroxy-3-methylsulfonylbenzamide
CID 23359361
N-[2-chloro-5-(diaminomethylidenecarbamoyl)phenyl]sulfonylmorpholine-4-carboxamide;hydrochloride
CID 67846321
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
N-(diaminomethylidene)-4-methyl-3-methylsulfonylbenzamide
CID 19096138
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393
4-butylsulfinyl-N-(diaminomethylidene)-3-sulfamoylbenzamide
CID 19096033
4-(2-chlorophenyl)sulfanyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide
CID 19096157
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride?
The IUPAC name of 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride (CID 19096090) is 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride?
The InChIKey is UINYVVAXQDKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3S.ClH/c9-5-2-1-4(7(14)13-8(10)11)3-6(5)17(12,15)16;/h1-3H,(H2,12,15,16)(H4,10,11,13,14);1H.
What are the key properties of 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride?
4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride has a molecular weight of 313.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 19096090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).