N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide

C7H12ClNO2S — CID 81429635

IUPACN-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC/C=C/CCl)C1CC1
InChIInChI=1S/C7H12ClNO2S/c8-5-1-2-6-9-12(10,11)7-3-4-7/h1-2,7,9H,3-6H2/b2-1+
InChIKeySSFOWOUMQKFORI-OWOJBTEDSA-N
MW209.70 g/mol
LogP0.86
Rot. Bonds5

About N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide

N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide (PubChem CID 81429635) has the molecular formula C7H12ClNO2S and a molecular weight of 209.70 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide
PubChem CID81429635
Molecular FormulaC7H12ClNO2S
Molecular Weight209.70 g/mol
Exact Mass209.03
IUPAC NameN-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC/C=C/CCl)C1CC1
InChIInChI=1S/C7H12ClNO2S/c8-5-1-2-6-9-12(10,11)7-3-4-7/h1-2,7,9H,3-6H2/b2-1+
InChIKeySSFOWOUMQKFORI-OWOJBTEDSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide (CID 81429635) is N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide is O=S(=O)(NC/C=C/CCl)C1CC1.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide?
The InChIKey is SSFOWOUMQKFORI-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H12ClNO2S/c8-5-1-2-6-9-12(10,11)7-3-4-7/h1-2,7,9H,3-6H2/b2-1+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide?
N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide has a molecular weight of 209.70 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]cyclopropanesulfonamide is sourced from PubChem (CID 81429635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).