2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide

C12H18Br2N2O2S2 — CID 79716659

IUPAC2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2N2O2S2/c1-2-16(8-9-3-5-15-6-4-9)20(17,18)10-7-11(13)19-12(10)14/h7,9,15H,2-6,8H2,1H3
InChIKeyZPZJCSAXNOYRHN-UHFFFAOYSA-N
MW446.23 g/mol
LogP3.28
Rot. Bonds5

About 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide

2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 79716659) has the molecular formula C12H18Br2N2O2S2 and a molecular weight of 446.23 g/mol. Its IUPAC name is 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID79716659
Molecular FormulaC12H18Br2N2O2S2
Molecular Weight446.23 g/mol
Exact Mass443.92
IUPAC Name2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2N2O2S2/c1-2-16(8-9-3-5-15-6-4-9)20(17,18)10-7-11(13)19-12(10)14/h7,9,15H,2-6,8H2,1H3
InChIKeyZPZJCSAXNOYRHN-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
CID 43656251
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
CID 60652197
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide (CID 79716659) is 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide is CCN(CC1CCNCC1)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is ZPZJCSAXNOYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S2/c1-2-16(8-9-3-5-15-6-4-9)20(17,18)10-7-11(13)19-12(10)14/h7,9,15H,2-6,8H2,1H3.
What are the key properties of 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide?
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 446.23 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 79716659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).