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

CID 71810288
CID 71810288
CID 71810303
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CID 71810311
CID 71810311
CID 75815412
CID 75815412
CID 71783854
CID 71783854
CID 97428242
CID 97428242
CID 97428220
CID 97428220
CID 31913008
CID 31913008
CID 31913140
CID 31913140
CID 45815684
CID 45815684
CID 45821823
CID 45821823
CID 60534081
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).