N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide

C8H16ClNO2S — CID 81429504

IUPACN-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC/C=C/CCl
InChIInChI=1S/C8H16ClNO2S/c1-2-3-8-13(11,12)10-7-5-4-6-9/h4-5,10H,2-3,6-8H2,1H3/b5-4+
InChIKeyZTVQPFZRZRZRMS-SNAWJCMRSA-N
MW225.74 g/mol
LogP1.50
Rot. Bonds7

About N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide

N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide (PubChem CID 81429504) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide
PubChem CID81429504
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC/C=C/CCl
InChIInChI=1S/C8H16ClNO2S/c1-2-3-8-13(11,12)10-7-5-4-6-9/h4-5,10H,2-3,6-8H2,1H3/b5-4+
InChIKeyZTVQPFZRZRZRMS-SNAWJCMRSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.50
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]butane-1-sulfonamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide (CID 81429504) is N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC/C=C/CCl.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide?
The InChIKey is ZTVQPFZRZRZRMS-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-2-3-8-13(11,12)10-7-5-4-6-9/h4-5,10H,2-3,6-8H2,1H3/b5-4+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide?
N-[(E)-4-chlorobut-2-enyl]butane-1-sulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.50, 7 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]butane-1-sulfonamide is sourced from PubChem (CID 81429504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).