5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide

C9H9ClN4O2S — CID 60812866

IUPAC5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN4O2S/c10-6-1-3-7(4-2-6)14-17(15,16)8-5-12-13-9(8)11/h1-5,14H,(H3,11,12,13)
InChIKeyHXHQLUGPZQNRCM-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.45
Rot. Bonds3

About 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60812866) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60812866
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN4O2S/c10-6-1-3-7(4-2-6)14-17(15,16)8-5-12-13-9(8)11/h1-5,14H,(H3,11,12,13)
InChIKeyHXHQLUGPZQNRCM-UHFFFAOYSA-N
XLogP1.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
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
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide (CID 60812866) is 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HXHQLUGPZQNRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c10-6-1-3-7(4-2-6)14-17(15,16)8-5-12-13-9(8)11/h1-5,14H,(H3,11,12,13).
What are the key properties of 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60812866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).