N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide

C14H17ClN2O3S — CID 22751122

IUPACN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H17ClN2O3S/c15-13-6-4-5-12(11-13)7-10-21(19,20)16-14(18)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2,(H,16,18)/b10-7+
InChIKeyALSBMBXLTGGLEI-JXMROGBWSA-N
MW328.82 g/mol
LogP2.84
Rot. Bonds3

About N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide

N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide (PubChem CID 22751122) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide
PubChem CID22751122
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H17ClN2O3S/c15-13-6-4-5-12(11-13)7-10-21(19,20)16-14(18)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2,(H,16,18)/b10-7+
InChIKeyALSBMBXLTGGLEI-JXMROGBWSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide (CID 22751122) is N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide is O=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide?
The InChIKey is ALSBMBXLTGGLEI-JXMROGBWSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-13-6-4-5-12(11-13)7-10-21(19,20)16-14(18)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2,(H,16,18)/b10-7+.
What are the key properties of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide?
N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 22751122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).