2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C10H8Cl2FN3O2S — CID 103088742

IUPAC2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccn[nH]1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H8Cl2FN3O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)15-5-6-3-4-14-16-6/h1-4,15H,5H2,(H,14,16)
InChIKeyRVIAQEDXUUMCHY-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.33
Rot. Bonds4

About 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 103088742) has the molecular formula C10H8Cl2FN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID103088742
Molecular FormulaC10H8Cl2FN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.97
IUPAC Name2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccn[nH]1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H8Cl2FN3O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)15-5-6-3-4-14-16-6/h1-4,15H,5H2,(H,14,16)
InChIKeyRVIAQEDXUUMCHY-UHFFFAOYSA-N
XLogP2.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 103088742) is 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccn[nH]1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is RVIAQEDXUUMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)15-5-6-3-4-14-16-6/h1-4,15H,5H2,(H,14,16).
What are the key properties of 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 324.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103088742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).