4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H15ClN2O3S — CID 2240759

IUPAC4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyZLYULJKNCGHJHZ-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.61
Rot. Bonds6

About 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2240759) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2240759
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
InChIKeyZLYULJKNCGHJHZ-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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Related Compounds

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
4-(3-Chlorophenoxy)-3-pyridinesulfonamide
CID 901268
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
2-(3-Chloro-4-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 3162899
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-isopropylbenzenesulfonamide
CID 1471207
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
4-Chloro-2,5-dimethoxy-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 978024
4-chloro-3-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 978045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2240759) is 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ZLYULJKNCGHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-chloro-3-ethoxy-N-(pyridin-4-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 4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2240759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).