2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide

C15H18N2O3S — CID 82913485

IUPAC2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
SMILESCc1c(OCCc2cccnc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H18N2O3S/c1-11-12(2)15(21(16,18)19)6-5-14(11)20-9-7-13-4-3-8-17-10-13/h3-6,8,10H,7,9H2,1-2H3,(H2,16,18,19)
InChIKeyAUSHJPSVQGZDMM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.97
Rot. Bonds5

About 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide

2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide (PubChem CID 82913485) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
PubChem CID82913485
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
SMILESCc1c(OCCc2cccnc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H18N2O3S/c1-11-12(2)15(21(16,18)19)6-5-14(11)20-9-7-13-4-3-8-17-10-13/h3-6,8,10H,7,9H2,1-2H3,(H2,16,18,19)
InChIKeyAUSHJPSVQGZDMM-UHFFFAOYSA-N
XLogP1.97
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943
2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 79169387
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 63264808
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide (CID 82913485) is 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide is Cc1c(OCCc2cccnc2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
The InChIKey is AUSHJPSVQGZDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-12(2)15(21(16,18)19)6-5-14(11)20-9-7-13-4-3-8-17-10-13/h3-6,8,10H,7,9H2,1-2H3,(H2,16,18,19).
What are the key properties of 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide?
2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82913485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).