3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

C11H8ClF2N3O3S — CID 43111556

IUPAC3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1cc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cn1
InChIInChI=1S/C11H8ClF2N3O3S/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(3-9(10)14)21(12,19)20/h2-5H,1H3,(H,16,18)
InChIKeyUEAOZRCLHQOIKE-UHFFFAOYSA-N
MW335.72 g/mol
LogP1.88
Rot. Bonds3

About 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 43111556) has the molecular formula C11H8ClF2N3O3S and a molecular weight of 335.72 g/mol. Its IUPAC name is 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
PubChem CID43111556
Molecular FormulaC11H8ClF2N3O3S
Molecular Weight335.72 g/mol
Exact Mass334.99
IUPAC Name3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCn1cc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cn1
InChIInChI=1S/C11H8ClF2N3O3S/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(3-9(10)14)21(12,19)20/h2-5H,1H3,(H,16,18)
InChIKeyUEAOZRCLHQOIKE-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

Analyze 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (CID 43111556) is 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is Cn1cc(C(=O)Nc2c(F)cc(S(=O)(=O)Cl)cc2F)cn1.
What is the InChIKey of 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is UEAOZRCLHQOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O3S/c1-17-5-6(4-15-17)11(18)16-10-8(13)2-7(3-9(10)14)21(12,19)20/h2-5H,1H3,(H,16,18).
What are the key properties of 3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
3,5-difluoro-4-[(1-methylpyrazole-4-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-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43111556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).