5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H15ClN2O3S — CID 850036

IUPAC5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyWTMXUCNUHFZIBI-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.61
Rot. Bonds6

About 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 850036) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID850036
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyWTMXUCNUHFZIBI-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 850036) is 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is WTMXUCNUHFZIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-20-13-6-5-12(15)8-14(13)21(18,19)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 850036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).