2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide

C14H16N2O3S — CID 82914505

IUPAC2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
SMILESCc1cc(OCCc2cccnc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-11-9-13(4-5-14(11)20(15,17)18)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18)
InChIKeyBHCYCVVPRLWJDU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide

2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide (PubChem CID 82914505) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
PubChem CID82914505
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
SMILESCc1cc(OCCc2cccnc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-11-9-13(4-5-14(11)20(15,17)18)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18)
InChIKeyBHCYCVVPRLWJDU-UHFFFAOYSA-N
XLogP1.66
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913485
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
4-(4-cyanobutoxy)-2-methylbenzenesulfonamide
CID 82914658
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
4-cyclopentyloxy-2-methyl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110616043
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide (CID 82914505) is 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide is Cc1cc(OCCc2cccnc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The InChIKey is BHCYCVVPRLWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11-9-13(4-5-14(11)20(15,17)18)19-8-6-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18).
What are the key properties of 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82914505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).