4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide

C21H22N2O3S — CID 84563209

IUPAC4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccccc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-17-10-12-19(13-11-17)27(24,25)23-21-20(9-6-14-22-21)26-15-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,22,23)
InChIKeySQQPOYIHXNIONL-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.33
Rot. Bonds7

About 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide

4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide (PubChem CID 84563209) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
PubChem CID84563209
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccccc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-17-10-12-19(13-11-17)27(24,25)23-21-20(9-6-14-22-21)26-15-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,22,23)
InChIKeySQQPOYIHXNIONL-UHFFFAOYSA-N
XLogP4.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
CID 137396760
2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide (CID 84563209) is 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccccc2C)cc1.
What is the InChIKey of 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
The InChIKey is SQQPOYIHXNIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-17-10-12-19(13-11-17)27(24,25)23-21-20(9-6-14-22-21)26-15-18-8-5-4-7-16(18)2/h4-14H,3,15H2,1-2H3,(H,22,23).
What are the key properties of 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide?
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 84563209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).