3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C14H15ClFN3O3S — CID 90597871

IUPAC3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O3S/c15-13-7-12(1-2-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyYJPIEENTMXOLBU-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.83
Rot. Bonds4

About 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 90597871) has the molecular formula C14H15ClFN3O3S and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID90597871
Molecular FormulaC14H15ClFN3O3S
Molecular Weight359.81 g/mol
Exact Mass359.05
IUPAC Name3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O3S/c15-13-7-12(1-2-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyYJPIEENTMXOLBU-UHFFFAOYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810303
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
5-Chloro-2-Fluoro-N-[1-(4-Piperidyl)pyrazol-4-Yl]benzenesulfonamide
CID 75815412
3-chloro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810305
(3-chloro-2-tolylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428242
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 31913008
4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 31913140
3-chloro-2-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 39655309
3-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 40042880
3-chloro-4-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 45815684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 90597871) is 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is YJPIEENTMXOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3S/c15-13-7-12(1-2-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2.
What are the key properties of 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 359.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).