4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C16H16ClN3O4S2 — CID 164623372

IUPAC4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H16ClN3O4S2/c17-14-6-5-13(25-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-6H,7-10H2,(H2,18,23,24)
InChIKeyHPMWHZIEQIOVQB-UHFFFAOYSA-N
MW413.91 g/mol
LogP1.65
Rot. Bonds3

About 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164623372) has the molecular formula C16H16ClN3O4S2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164623372
Molecular FormulaC16H16ClN3O4S2
Molecular Weight413.91 g/mol
Exact Mass413.03
IUPAC Name4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H16ClN3O4S2/c17-14-6-5-13(25-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-6H,7-10H2,(H2,18,23,24)
InChIKeyHPMWHZIEQIOVQB-UHFFFAOYSA-N
XLogP1.65
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164623372) is 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is HPMWHZIEQIOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S2/c17-14-6-5-13(25-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(4-2-11)26(18,23)24/h1-6H,7-10H2,(H2,18,23,24).
What are the key properties of 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 413.91 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164623372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).