2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H14Cl2N2O3S — CID 1094927

IUPAC2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2O3S/c1-2-21-13-6-12(16)14(7-11(13)15)22(19,20)18-9-10-4-3-5-17-8-10/h3-8,18H,2,9H2,1H3
InChIKeyGZYZOCZLWBDUSO-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.27
Rot. Bonds6

About 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1094927) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1094927
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2O3S/c1-2-21-13-6-12(16)14(7-11(13)15)22(19,20)18-9-10-4-3-5-17-8-10/h3-8,18H,2,9H2,1H3
InChIKeyGZYZOCZLWBDUSO-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1094927) is 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is GZYZOCZLWBDUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-2-21-13-6-12(16)14(7-11(13)15)22(19,20)18-9-10-4-3-5-17-8-10/h3-8,18H,2,9H2,1H3.
What are the key properties of 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 361.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).