4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C16H17N3O4S2 — CID 164620879

IUPAC4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23)
InChIKeyPRXDKQXVDAQOOX-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.99
Rot. Bonds3

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

4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164620879) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164620879
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23)
InChIKeyPRXDKQXVDAQOOX-UHFFFAOYSA-N
XLogP0.99
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164620879) is 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is PRXDKQXVDAQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23).
What are the key properties of 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164620879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).