N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide

C10H11ClFNO2S — CID 81430522

IUPACN-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC/C=C/CCl)c1cccc(F)c1
InChIInChI=1S/C10H11ClFNO2S/c11-6-1-2-7-13-16(14,15)10-5-3-4-9(12)8-10/h1-5,8,13H,6-7H2/b2-1+
InChIKeyQQUPBQSMDPWXHP-OWOJBTEDSA-N
MW263.72 g/mol
LogP1.90
Rot. Bonds5

About N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide

N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide (PubChem CID 81430522) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide
PubChem CID81430522
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC/C=C/CCl)c1cccc(F)c1
InChIInChI=1S/C10H11ClFNO2S/c11-6-1-2-7-13-16(14,15)10-5-3-4-9(12)8-10/h1-5,8,13H,6-7H2/b2-1+
InChIKeyQQUPBQSMDPWXHP-OWOJBTEDSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 51.90
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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Related Compounds

N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide (CID 81430522) is N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide is O=S(=O)(NC/C=C/CCl)c1cccc(F)c1.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide?
The InChIKey is QQUPBQSMDPWXHP-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-6-1-2-7-13-16(14,15)10-5-3-4-9(12)8-10/h1-5,8,13H,6-7H2/b2-1+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide?
N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide has a molecular weight of 263.72 g/mol, XLogP of 1.90, 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]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 81430522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).