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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Related Compounds

1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
1-benzothiophen-2-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80660821
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120858098
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
ethyl 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 46464437
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308320
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549

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).