2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride

C11H17Cl3N2O2S2 — CID 119979396

IUPAC2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl2N2O2S2.ClH/c12-10-6-9(11(13)18-10)19(16,17)15-5-3-8-2-1-4-14-7-8;/h6,8,14-15H,1-5,7H2;1H
InChIKeyZORHKHHXLFQLLK-UHFFFAOYSA-N
MW379.76 g/mol
LogP3.14
Rot. Bonds5

About 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride

2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 119979396) has the molecular formula C11H17Cl3N2O2S2 and a molecular weight of 379.76 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID119979396
Molecular FormulaC11H17Cl3N2O2S2
Molecular Weight379.76 g/mol
Exact Mass377.98
IUPAC Name2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl2N2O2S2.ClH/c12-10-6-9(11(13)18-10)19(16,17)15-5-3-8-2-1-4-14-7-8;/h6,8,14-15H,1-5,7H2;1H
InChIKeyZORHKHHXLFQLLK-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dichloro-N-piperidin-3-ylthiophene-3-sulfonamide;hydrochloride
CID 119964259
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride (CID 119979396) is 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCCNC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is ZORHKHHXLFQLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S2.ClH/c12-10-6-9(11(13)18-10)19(16,17)15-5-3-8-2-1-4-14-7-8;/h6,8,14-15H,1-5,7H2;1H.
What are the key properties of 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 379.76 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119979396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).