N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

C16H23N3O4S — CID 2971240

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyJYKQXPJFWCBXKQ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.74
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide (PubChem CID 2971240) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
PubChem CID2971240
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyJYKQXPJFWCBXKQ-UHFFFAOYSA-N
XLogP0.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide (CID 2971240) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The InChIKey is JYKQXPJFWCBXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-18-8-10-19(11-9-18)24(21,22)14-6-4-13(5-7-14)17-16(20)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,17,20).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2971240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).