2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120586042

IUPAC2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CCNC(C)C2)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-15-6-7-17-12(3)9-15;/h8,12,15,17-18H,6-7,9H2,1-5H3;1H
InChIKeyXJPDNFYAQDSNMY-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.76
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120586042) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120586042
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CCNC(C)C2)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-15-6-7-17-12(3)9-15;/h8,12,15,17-18H,6-7,9H2,1-5H3;1H
InChIKeyXJPDNFYAQDSNMY-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 120586000
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789
2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide
CID 19682030
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120586042) is 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)NC2CCNC(C)C2)c1C.Cl.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is XJPDNFYAQDSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-15-6-7-17-12(3)9-15;/h8,12,15,17-18H,6-7,9H2,1-5H3;1H.
What are the key properties of 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120586042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).