2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride

C8H12Cl3N5O3S — CID 22376922

IUPAC2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
SMILESCl.Cl.NC(N)=NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N
InChIInChI=1S/C8H10ClN5O3S.2ClH/c9-4-2-5(10)3(7(15)14-8(11)12)1-6(4)18(13,16)17;;/h1-2H,10H2,(H2,13,16,17)(H4,11,12,14,15);2*1H
InChIKeyJSDZOPANOMFIDY-UHFFFAOYSA-N
MW364.64 g/mol
LogP-0.17
Rot. Bonds2

About 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride

2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride (PubChem CID 22376922) has the molecular formula C8H12Cl3N5O3S and a molecular weight of 364.64 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
PubChem CID22376922
Molecular FormulaC8H12Cl3N5O3S
Molecular Weight364.64 g/mol
Exact Mass362.97
IUPAC Name2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
SMILESCl.Cl.NC(N)=NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N
InChIInChI=1S/C8H10ClN5O3S.2ClH/c9-4-2-5(10)3(7(15)14-8(11)12)1-6(4)18(13,16)17;;/h1-2H,10H2,(H2,13,16,17)(H4,11,12,14,15);2*1H
InChIKeyJSDZOPANOMFIDY-UHFFFAOYSA-N
XLogP-0.17
TPSA167.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
CID 19096090
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
4-chloro-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 10517570
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
3,4-dichloro-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 10853398
N-(diaminomethylidene)-2-ethyl-4-propyl-5-sulfamoylbenzamide
CID 18937160
N-(diaminomethylidene)-2-ethynyl-4-methyl-5-sulfamoylbenzamide
CID 18937344
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
2-chloro-N-(diaminomethylidene)-4-hydroxy-5-iodobenzamide
CID 22446949
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703
N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
CID 18976412
4-amino-2-chloro-5-(dimethylcarbamoyl)benzenesulfonic acid
CID 21411373

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride?
The IUPAC name of 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride (CID 22376922) is 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride.
What is the SMILES notation for 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride?
The canonical SMILES for 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride is Cl.Cl.NC(N)=NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride?
The InChIKey is JSDZOPANOMFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O3S.2ClH/c9-4-2-5(10)3(7(15)14-8(11)12)1-6(4)18(13,16)17;;/h1-2H,10H2,(H2,13,16,17)(H4,11,12,14,15);2*1H.
What are the key properties of 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride?
2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride has a molecular weight of 364.64 g/mol, XLogP of -0.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride is sourced from PubChem (CID 22376922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).