5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide

C13H13ClN2O3S — CID 82914800

IUPAC5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OCCc1ccccn1
InChIInChI=1S/C13H13ClN2O3S/c14-10-4-5-12(13(9-10)20(15,17)18)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H2,15,17,18)
InChIKeyCKOQNNBULFFEOO-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.00
Rot. Bonds5

About 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide

5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide (PubChem CID 82914800) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
PubChem CID82914800
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)ccc1OCCc1ccccn1
InChIInChI=1S/C13H13ClN2O3S/c14-10-4-5-12(13(9-10)20(15,17)18)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H2,15,17,18)
InChIKeyCKOQNNBULFFEOO-UHFFFAOYSA-N
XLogP2.00
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide (CID 82914800) is 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)ccc1OCCc1ccccn1.
What is the InChIKey of 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide?
The InChIKey is CKOQNNBULFFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c14-10-4-5-12(13(9-10)20(15,17)18)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2,(H2,15,17,18).
What are the key properties of 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide?
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).