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

C14H14Cl2N2O3S — CID 1258403

IUPAC3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1c(S(=O)(=O)NCc2ccccn2)ccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S/c1-2-21-14-12(7-6-11(15)13(14)16)22(19,20)18-9-10-5-3-4-8-17-10/h3-8,18H,2,9H2,1H3
InChIKeyHHEPYQFGMYFLPI-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.27
Rot. Bonds6

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

3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 1258403) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID1258403
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1c(S(=O)(=O)NCc2ccccn2)ccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S/c1-2-21-14-12(7-6-11(15)13(14)16)22(19,20)18-9-10-5-3-4-8-17-10/h3-8,18H,2,9H2,1H3
InChIKeyHHEPYQFGMYFLPI-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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Related Compounds

4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide
CID 166183899
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20566512
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 1258403) is 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCOc1c(S(=O)(=O)NCc2ccccn2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HHEPYQFGMYFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-2-21-14-12(7-6-11(15)13(14)16)22(19,20)18-9-10-5-3-4-8-17-10/h3-8,18H,2,9H2,1H3.
What are the key properties of 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3,4-dichloro-2-ethoxy-N-(pyridin-2-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 3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1258403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).