N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide

C12H9ClN4O2S2 — CID 43343945

IUPACN-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESNc1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C12H9ClN4O2S2/c13-7-4-5-8(14)10(6-7)17-21(18,19)11-3-1-2-9-12(11)16-20-15-9/h1-6,17H,14H2
InChIKeyIKBATRAIEWSTST-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.73
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 43343945) has the molecular formula C12H9ClN4O2S2 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID43343945
Molecular FormulaC12H9ClN4O2S2
Molecular Weight340.82 g/mol
Exact Mass339.99
IUPAC NameN-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESNc1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C12H9ClN4O2S2/c13-7-4-5-8(14)10(6-7)17-21(18,19)11-3-1-2-9-12(11)16-20-15-9/h1-6,17H,14H2
InChIKeyIKBATRAIEWSTST-UHFFFAOYSA-N
XLogP2.73
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 25014170
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[2,2-bis(4-chlorophenyl)ethyl]-4-chlorobenzamide
CID 11534594
N-(2-amino-6-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343954
N-(3-amino-4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343951
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(2-methylphenyl)methyl]benzamide
CID 58906281
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 11167847
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605
2-amino-2-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]-3-(3,4-dichlorophenyl)-3-hydroxypropanoic acid
CID 142688441
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-iodobenzamide
CID 141141164
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-chloro-N-(3,4-dichlorocyclohexa-1,3-dien-1-yl)benzamide
CID 143366399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 43343945) is N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is Nc1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is IKBATRAIEWSTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S2/c13-7-4-5-8(14)10(6-7)17-21(18,19)11-3-1-2-9-12(11)16-20-15-9/h1-6,17H,14H2.
What are the key properties of N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 340.82 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 43343945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).