4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride

C12H12ClN3O3S — CID 66128613

IUPAC4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)n(C)n1
InChIInChI=1S/C12H12ClN3O3S/c1-8-7-11(16(2)15-8)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,14,17)
InChIKeyUABADZNAXKZUGF-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.91
Rot. Bonds3

About 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 66128613) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID66128613
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)n(C)n1
InChIInChI=1S/C12H12ClN3O3S/c1-8-7-11(16(2)15-8)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,14,17)
InChIKeyUABADZNAXKZUGF-UHFFFAOYSA-N
XLogP1.91
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (CID 66128613) is 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is UABADZNAXKZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-7-11(16(2)15-8)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,14,17).
What are the key properties of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 313.77 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 66128613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).