4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H22N2O3S — CID 1094929

IUPAC4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-4-22-17-8-7-15(10-16(17)13(2)3)23(20,21)19-12-14-6-5-9-18-11-14/h5-11,13,19H,4,12H2,1-3H3
InChIKeyCSXFDBAQGAWRKL-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.08
Rot. Bonds7

About 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1094929) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1094929
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C
InChIInChI=1S/C17H22N2O3S/c1-4-22-17-8-7-15(10-16(17)13(2)3)23(20,21)19-12-14-6-5-9-18-11-14/h5-11,13,19H,4,12H2,1-3H3
InChIKeyCSXFDBAQGAWRKL-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1094929) is 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C.
What is the InChIKey of 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is CSXFDBAQGAWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-22-17-8-7-15(10-16(17)13(2)3)23(20,21)19-12-14-6-5-9-18-11-14/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1094929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).