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

C15H18N2O3S — CID 2238756

IUPAC4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-3-20-15-5-4-14(10-12(15)2)21(18,19)17-11-13-6-8-16-9-7-13/h4-10,17H,3,11H2,1-2H3
InChIKeyZRDGECGGMQIYRX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds6

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

4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2238756) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2238756
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-3-20-15-5-4-14(10-12(15)2)21(18,19)17-11-13-6-8-16-9-7-13/h4-10,17H,3,11H2,1-2H3
InChIKeyZRDGECGGMQIYRX-UHFFFAOYSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 39660540
4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2238756) is 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ZRDGECGGMQIYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-15-5-4-14(10-12(15)2)21(18,19)17-11-13-6-8-16-9-7-13/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2238756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).