2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide

C9H9Cl2NO2S — CID 169477944

IUPAC2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CCCl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2S/c10-5-1-2-7-3-4-9(8(11)6-7)15(12,13)14/h1-4,6H,5H2,(H2,12,13,14)
InChIKeyDTHOPNAZAMWAPD-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide

2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide (PubChem CID 169477944) has the molecular formula C9H9Cl2NO2S and a molecular weight of 266.15 g/mol. Its IUPAC name is 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
PubChem CID169477944
Molecular FormulaC9H9Cl2NO2S
Molecular Weight266.15 g/mol
Exact Mass264.97
IUPAC Name2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CCCl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2S/c10-5-1-2-7-3-4-9(8(11)6-7)15(12,13)14/h1-4,6H,5H2,(H2,12,13,14)
InChIKeyDTHOPNAZAMWAPD-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
CID 169482354
4-(2-acetyl-3-oxobut-1-enyl)-2-chlorobenzenesulfonamide
CID 11957793
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
2-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476940
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
4-amino-2-chlorobenzenesulfonamide
CID 12533522
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
2-chloro-4-(cyanomethyl)benzenesulfonamide
CID 83271769
2-bromo-4-(3-chloroprop-1-enyl)-1-methylbenzene
CID 169478305
4-(3-chloroprop-1-enyl)-2-ethylaniline
CID 169477351
2-chloro-4-(methoxymethyl)benzenesulfonamide
CID 83271453
3-chloro-4-sulfamoylbenzoic acid
CID 47003139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide (CID 169477944) is 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C=CCCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide?
The InChIKey is DTHOPNAZAMWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2S/c10-5-1-2-7-3-4-9(8(11)6-7)15(12,13)14/h1-4,6H,5H2,(H2,12,13,14).
What are the key properties of 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide?
2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide has a molecular weight of 266.15 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide is sourced from PubChem (CID 169477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).