2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120720191

IUPAC2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCC2(C)CCNCC2)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12-9-13(2)15(14(3)10-12)21(19,20)18-11-16(4)5-7-17-8-6-16;/h9-10,17-18H,5-8,11H2,1-4H3;1H
InChIKeyHBCOCCUNMCLAFM-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.70
Rot. Bonds4

About 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride

2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720191) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720191
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCC2(C)CCNCC2)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-12-9-13(2)15(14(3)10-12)21(19,20)18-11-16(4)5-7-17-8-6-16;/h9-10,17-18H,5-8,11H2,1-4H3;1H
InChIKeyHBCOCCUNMCLAFM-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 42269706
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120720041
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694284
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720191) is 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)NCC2(C)CCNCC2)c(C)c1.Cl.
What is the InChIKey of 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is HBCOCCUNMCLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-12-9-13(2)15(14(3)10-12)21(19,20)18-11-16(4)5-7-17-8-6-16;/h9-10,17-18H,5-8,11H2,1-4H3;1H.
What are the key properties of 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride?
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).