cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone

C14H18N2O3S — CID 82165047

IUPACcyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCNCC2)cc1)C1CC1
InChIInChI=1S/C14H18N2O3S/c17-14(11-1-2-11)12-3-5-13(6-4-12)20(18,19)16-9-7-15-8-10-16/h3-6,11,15H,1-2,7-10H2
InChIKeyWYBSANJBRPVDDL-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.87
Rot. Bonds4

About cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone

cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone (PubChem CID 82165047) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
PubChem CID82165047
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namecyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCNCC2)cc1)C1CC1
InChIInChI=1S/C14H18N2O3S/c17-14(11-1-2-11)12-3-5-13(6-4-12)20(18,19)16-9-7-15-8-10-16/h3-6,11,15H,1-2,7-10H2
InChIKeyWYBSANJBRPVDDL-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperazin-1-ylsulfonylbenzamide
CID 7131265
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110412122
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone?
The IUPAC name of cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone (CID 82165047) is cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCNCC2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone?
The InChIKey is WYBSANJBRPVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(11-1-2-11)12-3-5-13(6-4-12)20(18,19)16-9-7-15-8-10-16/h3-6,11,15H,1-2,7-10H2.
What are the key properties of cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone?
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone has a molecular weight of 294.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 82165047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).