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

C14H16ClN3O3S — CID 71810305

IUPAC3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3S/c15-11-2-1-3-14(8-11)22(19,20)17-12-9-16-18(10-12)13-4-6-21-7-5-13/h1-3,8-10,13,17H,4-7H2
InChIKeyKJYQISSDJQPRMF-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.69
Rot. Bonds4

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

3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810305) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810305
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3S/c15-11-2-1-3-14(8-11)22(19,20)17-12-9-16-18(10-12)13-4-6-21-7-5-13/h1-3,8-10,13,17H,4-7H2
InChIKeyKJYQISSDJQPRMF-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810288
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
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((3-chlorophenyl)sulfonyl)piperazine
CID 71783854
(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
3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 31913008
4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 31913140
3-chloro-4-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 45815684
3-chloro-2-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 45821823
2-chloro-4-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534081

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810305) is 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is KJYQISSDJQPRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c15-11-2-1-3-14(8-11)22(19,20)17-12-9-16-18(10-12)13-4-6-21-7-5-13/h1-3,8-10,13,17H,4-7H2.
What are the key properties of 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).