N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide

C9H7ClFN3O2S — CID 54929649

IUPACN-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H7ClFN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyDJQKXMUIBUSFIO-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.00
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide

N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54929649) has the molecular formula C9H7ClFN3O2S and a molecular weight of 275.69 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54929649
Molecular FormulaC9H7ClFN3O2S
Molecular Weight275.69 g/mol
Exact Mass274.99
IUPAC NameN-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H7ClFN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyDJQKXMUIBUSFIO-UHFFFAOYSA-N
XLogP2.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide (CID 54929649) is N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)cc1Cl)c1cn[nH]c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DJQKXMUIBUSFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13).
What are the key properties of N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 275.69 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).