4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide

C10H9ClFN3O3S — CID 106149351

IUPAC4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C10H9ClFN3O3S/c1-15-10(7(11)5-13-15)19(17,18)14-9-3-2-6(16)4-8(9)12/h2-5,14,16H,1H3
InChIKeyDWTIITICHDRKRJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106149351) has the molecular formula C10H9ClFN3O3S and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106149351
Molecular FormulaC10H9ClFN3O3S
Molecular Weight305.72 g/mol
Exact Mass305.00
IUPAC Name4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C10H9ClFN3O3S/c1-15-10(7(11)5-13-15)19(17,18)14-9-3-2-6(16)4-8(9)12/h2-5,14,16H,1H3
InChIKeyDWTIITICHDRKRJ-UHFFFAOYSA-N
XLogP1.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide (CID 106149351) is 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F.
What is the InChIKey of 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is DWTIITICHDRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O3S/c1-15-10(7(11)5-13-15)19(17,18)14-9-3-2-6(16)4-8(9)12/h2-5,14,16H,1H3.
What are the key properties of 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 305.72 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).