2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

C11H10Cl2FN3O2S — CID 103088740

IUPAC2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H10Cl2FN3O2S/c1-6-7(4-15-17-6)5-16-20(18,19)9-3-2-8(12)11(14)10(9)13/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyOYDSPKSGGAGNIR-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.64
Rot. Bonds4

About 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide

2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 103088740) has the molecular formula C11H10Cl2FN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID103088740
Molecular FormulaC11H10Cl2FN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.99
IUPAC Name2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H10Cl2FN3O2S/c1-6-7(4-15-17-6)5-16-20(18,19)9-3-2-8(12)11(14)10(9)13/h2-4,16H,5H2,1H3,(H,15,17)
InChIKeyOYDSPKSGGAGNIR-UHFFFAOYSA-N
XLogP2.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.64
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-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide (CID 103088740) is 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OYDSPKSGGAGNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3O2S/c1-6-7(4-15-17-6)5-16-20(18,19)9-3-2-8(12)11(14)10(9)13/h2-4,16H,5H2,1H3,(H,15,17).
What are the key properties of 2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide?
2,4-dichloro-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 338.19 g/mol, XLogP of 2.64, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103088740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).