3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

C11H9ClFN3O3S — CID 43101403

IUPAC3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(4-9(10)13)20(12,18)19/h2-6H,1H3,(H,15,17)
InChIKeyHBFBLGBYUZUBFB-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.74
Rot. Bonds3

About 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 43101403) has the molecular formula C11H9ClFN3O3S and a molecular weight of 317.73 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
PubChem CID43101403
Molecular FormulaC11H9ClFN3O3S
Molecular Weight317.73 g/mol
Exact Mass317.00
IUPAC Name3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O3S/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(4-9(10)13)20(12,18)19/h2-6H,1H3,(H,15,17)
InChIKeyHBFBLGBYUZUBFB-UHFFFAOYSA-N
XLogP1.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43111556
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66156540
3-fluoro-4-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63086288
N-(4-hydroxy-2-methylsulfanylphenyl)-1-methylpyrazole-4-carboxamide
CID 91653086
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
N-[4-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 82685683
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (CID 43101403) is 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is Cn1cc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2F)cn1.
What is the InChIKey of 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is HBFBLGBYUZUBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3S/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(4-9(10)13)20(12,18)19/h2-6H,1H3,(H,15,17).
What are the key properties of 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 317.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43101403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).