4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide

C9H11Cl2N3O3S2 — CID 95979713

IUPAC4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C9H11Cl2N3O3S2/c10-7-5-6(8(11)18-7)9(15)13-1-3-14(4-2-13)19(12,16)17/h5H,1-4H2,(H2,12,16,17)
InChIKeyVOBJTXLFSNKWJH-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.02
Rot. Bonds2

About 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide

4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 95979713) has the molecular formula C9H11Cl2N3O3S2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
PubChem CID95979713
Molecular FormulaC9H11Cl2N3O3S2
Molecular Weight344.25 g/mol
Exact Mass342.96
IUPAC Name4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C9H11Cl2N3O3S2/c10-7-5-6(8(11)18-7)9(15)13-1-3-14(4-2-13)19(12,16)17/h5H,1-4H2,(H2,12,16,17)
InChIKeyVOBJTXLFSNKWJH-UHFFFAOYSA-N
XLogP1.02
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107962407
2-[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 107961806
methyl 5-[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
CID 55430479
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107963575

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide (CID 95979713) is 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is VOBJTXLFSNKWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O3S2/c10-7-5-6(8(11)18-7)9(15)13-1-3-14(4-2-13)19(12,16)17/h5H,1-4H2,(H2,12,16,17).
What are the key properties of 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide?
4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 344.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 95979713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).