5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide

C9H6Cl2N6O2S2 — CID 65475983

IUPAC5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C9H6Cl2N6O2S2/c10-3-1-4(11)7(8-6(3)15-20-16-8)17-21(18,19)5-2-13-14-9(5)12/h1-2,17H,(H3,12,13,14)
InChIKeyLXTAFPJXQFGTBT-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.10
Rot. Bonds3

About 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 65475983) has the molecular formula C9H6Cl2N6O2S2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID65475983
Molecular FormulaC9H6Cl2N6O2S2
Molecular Weight365.23 g/mol
Exact Mass363.94
IUPAC Name5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C9H6Cl2N6O2S2/c10-3-1-4(11)7(8-6(3)15-20-16-8)17-21(18,19)5-2-13-14-9(5)12/h1-2,17H,(H3,12,13,14)
InChIKeyLXTAFPJXQFGTBT-UHFFFAOYSA-N
XLogP2.10
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65453182
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)sulfamoyl]propanoic acid
CID 61455279
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5,7-dichloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 66131112
5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114049200

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 65475983) is 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LXTAFPJXQFGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N6O2S2/c10-3-1-4(11)7(8-6(3)15-20-16-8)17-21(18,19)5-2-13-14-9(5)12/h1-2,17H,(H3,12,13,14).
What are the key properties of 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 365.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65475983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).