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

C11H8ClF2N3O3S — CID 62921141

IUPAC3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1nccc1C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C11H8ClF2N3O3S/c1-17-9(2-3-15-17)11(18)16-10-7(13)4-6(5-8(10)14)21(12,19)20/h2-5H,1H3,(H,16,18)
InChIKeyZRUAODRGSLDRJL-UHFFFAOYSA-N
MW335.72 g/mol
LogP1.88
Rot. Bonds3

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

3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 62921141) has the molecular formula C11H8ClF2N3O3S and a molecular weight of 335.72 g/mol. Its IUPAC name is 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID62921141
Molecular FormulaC11H8ClF2N3O3S
Molecular Weight335.72 g/mol
Exact Mass334.99
IUPAC Name3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1nccc1C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C11H8ClF2N3O3S/c1-17-9(2-3-15-17)11(18)16-10-7(13)4-6(5-8(10)14)21(12,19)20/h2-5H,1H3,(H,16,18)
InChIKeyZRUAODRGSLDRJL-UHFFFAOYSA-N
XLogP1.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43111556
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 65199816
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 55130611
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride (CID 62921141) is 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is Cn1nccc1C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is ZRUAODRGSLDRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O3S/c1-17-9(2-3-15-17)11(18)16-10-7(13)4-6(5-8(10)14)21(12,19)20/h2-5H,1H3,(H,16,18).
What are the key properties of 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride?
3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 335.72 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 62921141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).