4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide

C13H15N3O3S2 — CID 61407080

IUPAC4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C13H15N3O3S2/c14-21(18,19)16-7-5-15(6-8-16)13(17)12-9-10-3-1-2-4-11(10)20-12/h1-4,9H,5-8H2,(H2,14,18,19)
InChIKeyCNCCIPPVZZXAPO-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.86
Rot. Bonds2

About 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide

4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 61407080) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
PubChem CID61407080
Molecular FormulaC13H15N3O3S2
Molecular Weight325.41 g/mol
Exact Mass325.06
IUPAC Name4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C13H15N3O3S2/c14-21(18,19)16-7-5-15(6-8-16)13(17)12-9-10-3-1-2-4-11(10)20-12/h1-4,9H,5-8H2,(H2,14,18,19)
InChIKeyCNCCIPPVZZXAPO-UHFFFAOYSA-N
XLogP0.86
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide (CID 61407080) is 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is CNCCIPPVZZXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c14-21(18,19)16-7-5-15(6-8-16)13(17)12-9-10-3-1-2-4-11(10)20-12/h1-4,9H,5-8H2,(H2,14,18,19).
What are the key properties of 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide?
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61407080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).