2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120723758

IUPAC2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCCNC2)c(C)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-15-7-6-8-17-9-15;/h15,17-18H,6-9H2,1-5H3;1H/t15-;/m1./s1
InChIKeyQKKUCAFQMFNYTR-XFULWGLBSA-N
MW346.92 g/mol
LogP2.68
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120723758) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120723758
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCCNC2)c(C)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-15-7-6-8-17-9-15;/h15,17-18H,6-9H2,1-5H3;1H/t15-;/m1./s1
InChIKeyQKKUCAFQMFNYTR-XFULWGLBSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120723758) is 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cc1c(C)c(C)c(S(=O)(=O)N[C@@H]2CCCNC2)c(C)c1C.Cl.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is QKKUCAFQMFNYTR-XFULWGLBSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-15-7-6-8-17-9-15;/h15,17-18H,6-9H2,1-5H3;1H/t15-;/m1./s1.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).