3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide

C16H17ClN4O3S — CID 129005291

IUPAC3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C16H17ClN4O3S/c1-2-21-10-12(9-19-21)16-15(5-6-24-16)20-25(22,23)13-4-3-11(8-18)14(17)7-13/h3-4,7,9-10,15-16,20H,2,5-6H2,1H3/t15-,16+/m0/s1
InChIKeyBOWZCHWPSJHDDH-JKSUJKDBSA-N
MW380.86 g/mol
LogP2.24
Rot. Bonds5

About 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide

3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide (PubChem CID 129005291) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
PubChem CID129005291
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC Name3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C16H17ClN4O3S/c1-2-21-10-12(9-19-21)16-15(5-6-24-16)20-25(22,23)13-4-3-11(8-18)14(17)7-13/h3-4,7,9-10,15-16,20H,2,5-6H2,1H3/t15-,16+/m0/s1
InChIKeyBOWZCHWPSJHDDH-JKSUJKDBSA-N
XLogP2.24
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide (CID 129005291) is 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide is CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is BOWZCHWPSJHDDH-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-2-21-10-12(9-19-21)16-15(5-6-24-16)20-25(22,23)13-4-3-11(8-18)14(17)7-13/h3-4,7,9-10,15-16,20H,2,5-6H2,1H3/t15-,16+/m0/s1.
What are the key properties of 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide?
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 380.86 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 129005291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).