2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C14H15ClFN3O3S — CID 60534081

IUPAC2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3O3S/c15-13-6-10(16)3-4-14(13)23(20,21)18-11-7-17-19(8-11)9-12-2-1-5-22-12/h3-4,6-8,12,18H,1-2,5,9H2
InChIKeyJGFHLLNTGRPPLJ-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.66
Rot. Bonds5

About 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 60534081) has the molecular formula C14H15ClFN3O3S and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID60534081
Molecular FormulaC14H15ClFN3O3S
Molecular Weight359.81 g/mol
Exact Mass359.05
IUPAC Name2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3O3S/c15-13-6-10(16)3-4-14(13)23(20,21)18-11-7-17-19(8-11)9-12-2-1-5-22-12/h3-4,6-8,12,18H,1-2,5,9H2
InChIKeyJGFHLLNTGRPPLJ-UHFFFAOYSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 60534081) is 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(CC2CCCO2)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is JGFHLLNTGRPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3S/c15-13-6-10(16)3-4-14(13)23(20,21)18-11-7-17-19(8-11)9-12-2-1-5-22-12/h3-4,6-8,12,18H,1-2,5,9H2.
What are the key properties of 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 359.81 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 60534081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).