2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

C16H27ClN2O4S2 — CID 119979725

IUPAC2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C16H26N2O4S2.ClH/c1-12-9-15(23(3,19)20)13(2)16(10-12)24(21,22)18-8-6-14-5-4-7-17-11-14;/h9-10,14,17-18H,4-8,11H2,1-3H3;1H
InChIKeyUGUHIDNXNXZSBA-UHFFFAOYSA-N
MW410.99 g/mol
LogP1.80
Rot. Bonds6

About 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119979725) has the molecular formula C16H27ClN2O4S2 and a molecular weight of 410.99 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119979725
Molecular FormulaC16H27ClN2O4S2
Molecular Weight410.99 g/mol
Exact Mass410.11
IUPAC Name2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C16H26N2O4S2.ClH/c1-12-9-15(23(3,19)20)13(2)16(10-12)24(21,22)18-8-6-14-5-4-7-17-11-14;/h9-10,14,17-18H,4-8,11H2,1-3H3;1H
InChIKeyUGUHIDNXNXZSBA-UHFFFAOYSA-N
XLogP1.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119979725) is 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCC2CCCNC2)c1.Cl.
What is the InChIKey of 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UGUHIDNXNXZSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2.ClH/c1-12-9-15(23(3,19)20)13(2)16(10-12)24(21,22)18-8-6-14-5-4-7-17-11-14;/h9-10,14,17-18H,4-8,11H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119979725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).