5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

C17H17N3O7S — CID 55837251

IUPAC5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3OCO4)CC2)o1
InChIInChI=1S/C17H17N3O7S/c18-16(21)13-4-5-14(27-13)28(23,24)20-8-6-19(7-9-20)17(22)11-2-1-3-12-15(11)26-10-25-12/h1-5H,6-10H2,(H2,18,21)
InChIKeyMFGYEVDNVORQAT-UHFFFAOYSA-N
MW407.40 g/mol
LogP0.25
Rot. Bonds4

About 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 55837251) has the molecular formula C17H17N3O7S and a molecular weight of 407.40 g/mol. Its IUPAC name is 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID55837251
Molecular FormulaC17H17N3O7S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC Name5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3OCO4)CC2)o1
InChIInChI=1S/C17H17N3O7S/c18-16(21)13-4-5-14(27-13)28(23,24)20-8-6-19(7-9-20)17(22)11-2-1-3-12-15(11)26-10-25-12/h1-5H,6-10H2,(H2,18,21)
InChIKeyMFGYEVDNVORQAT-UHFFFAOYSA-N
XLogP0.25
TPSA132.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzodioxol-4-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55837113
1,3-benzodioxol-4-yl-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 55819181
1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55858815
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
1,3-benzodioxol-4-yl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 55819480
1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 167971537
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide;hydrochloride
CID 119295057
5-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691867
5-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295056
5-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 43076337

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 55837251) is 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3OCO4)CC2)o1.
What is the InChIKey of 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is MFGYEVDNVORQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O7S/c18-16(21)13-4-5-14(27-13)28(23,24)20-8-6-19(7-9-20)17(22)11-2-1-3-12-15(11)26-10-25-12/h1-5H,6-10H2,(H2,18,21).
What are the key properties of 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 55837251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).