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

C12H11ClFN3O3S — CID 66128821

IUPAC4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(F)c2)n(C)n1
InChIInChI=1S/C12H11ClFN3O3S/c1-7-5-10(17(2)16-7)12(18)15-8-3-4-11(9(14)6-8)21(13,19)20/h3-6H,1-2H3,(H,15,18)
InChIKeyZGKNBXOJPLZVFW-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.05
Rot. Bonds3

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

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride (PubChem CID 66128821) has the molecular formula C12H11ClFN3O3S and a molecular weight of 331.76 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
PubChem CID66128821
Molecular FormulaC12H11ClFN3O3S
Molecular Weight331.76 g/mol
Exact Mass331.02
IUPAC Name4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(F)c2)n(C)n1
InChIInChI=1S/C12H11ClFN3O3S/c1-7-5-10(17(2)16-7)12(18)15-8-3-4-11(9(14)6-8)21(13,19)20/h3-6H,1-2H3,(H,15,18)
InChIKeyZGKNBXOJPLZVFW-UHFFFAOYSA-N
XLogP2.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
CID 71999243
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124846
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride (CID 66128821) is 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)c(F)c2)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride?
The InChIKey is ZGKNBXOJPLZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3S/c1-7-5-10(17(2)16-7)12(18)15-8-3-4-11(9(14)6-8)21(13,19)20/h3-6H,1-2H3,(H,15,18).
What are the key properties of 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride?
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride has a molecular weight of 331.76 g/mol, XLogP of 2.05, 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]-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 66128821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).