4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide

C10H15N3O4S — CID 114822701

IUPAC4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
SMILESCc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)co1
InChIInChI=1S/C10H15N3O4S/c1-8-6-9(7-17-8)10(14)12-2-4-13(5-3-12)18(11,15)16/h6-7H,2-5H2,1H3,(H2,11,15,16)
InChIKeyUDGHPIADKIBZSQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.45
Rot. Bonds2

About 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide

4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 114822701) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
PubChem CID114822701
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
SMILESCc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)co1
InChIInChI=1S/C10H15N3O4S/c1-8-6-9(7-17-8)10(14)12-2-4-13(5-3-12)18(11,15)16/h6-7H,2-5H2,1H3,(H2,11,15,16)
InChIKeyUDGHPIADKIBZSQ-UHFFFAOYSA-N
XLogP-0.45
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-3-yl)methanone
CID 114823106
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622
(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 136533921
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide (CID 114822701) is 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide is Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)co1.
What is the InChIKey of 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is UDGHPIADKIBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-8-6-9(7-17-8)10(14)12-2-4-13(5-3-12)18(11,15)16/h6-7H,2-5H2,1H3,(H2,11,15,16).
What are the key properties of 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide?
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 273.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114822701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).