4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide

C16H22N2O2S — CID 23586120

IUPAC4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide
SMILESCC1=CC(C)N(CCc2ccc(S(N)(=O)=O)cc2)C(C)=C1
InChIInChI=1S/C16H22N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11,13H,8-9H2,1-3H3,(H2,17,19,20)
InChIKeyGMHQRZZCOALYJO-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.43
Rot. Bonds4

About 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide

4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide (PubChem CID 23586120) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide
PubChem CID23586120
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide
SMILESCC1=CC(C)N(CCc2ccc(S(N)(=O)=O)cc2)C(C)=C1
InChIInChI=1S/C16H22N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11,13H,8-9H2,1-3H3,(H2,17,19,20)
InChIKeyGMHQRZZCOALYJO-UHFFFAOYSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
4-nonylbenzenesulfonamide
CID 19845394
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
4-(2-amino-2-methylpropyl)benzenesulfonamide
CID 130155148
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
2-oxo-N-propan-2-yl-3-[2-(4-sulfamoylphenyl)ethyl]-1,3-diazinane-4-carboxamide
CID 18338855
4-[2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]benzenesulfonamide
CID 54995917
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
4-(4-sulfamoylphenyl)butanamide
CID 145476026
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
bis(4-methylbenzenesulfonamide);selane
CID 173300479

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide (CID 23586120) is 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide is CC1=CC(C)N(CCc2ccc(S(N)(=O)=O)cc2)C(C)=C1.
What is the InChIKey of 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is GMHQRZZCOALYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11,13H,8-9H2,1-3H3,(H2,17,19,20).
What are the key properties of 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide?
4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,6-trimethyl-2H-pyridin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 23586120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).