2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide

C11H16Br2N2O2S2 — CID 63629400

IUPAC2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2O2S2/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
InChIKeyCWQKERWJAZORMM-UHFFFAOYSA-N
MW432.20 g/mol
LogP2.94
Rot. Bonds5

About 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide

2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide (PubChem CID 63629400) has the molecular formula C11H16Br2N2O2S2 and a molecular weight of 432.20 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
PubChem CID63629400
Molecular FormulaC11H16Br2N2O2S2
Molecular Weight432.20 g/mol
Exact Mass429.90
IUPAC Name2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2O2S2/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
InChIKeyCWQKERWJAZORMM-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide (CID 63629400) is 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide is O=S(=O)(NCCC1CCCNC1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide?
The InChIKey is CWQKERWJAZORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S2/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.
What are the key properties of 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide has a molecular weight of 432.20 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 63629400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).