4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide

C7H7Cl2NO4S2 — CID 124927199

IUPAC4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(CCl)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl2NO4S2/c8-5-15(11,12)10-16(13,14)7-3-1-6(9)2-4-7/h1-4,10H,5H2
InChIKeyOQDOWHZVBLQFMD-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.14
Rot. Bonds4

About 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide

4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide (PubChem CID 124927199) has the molecular formula C7H7Cl2NO4S2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
PubChem CID124927199
Molecular FormulaC7H7Cl2NO4S2
Molecular Weight304.18 g/mol
Exact Mass302.92
IUPAC Name4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(CCl)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl2NO4S2/c8-5-15(11,12)10-16(13,14)7-3-1-6(9)2-4-7/h1-4,10H,5H2
InChIKeyOQDOWHZVBLQFMD-UHFFFAOYSA-N
XLogP1.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
CID 114298498
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide (CID 124927199) is 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide is O=S(=O)(CCl)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide?
The InChIKey is OQDOWHZVBLQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO4S2/c8-5-15(11,12)10-16(13,14)7-3-1-6(9)2-4-7/h1-4,10H,5H2.
What are the key properties of 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide?
4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide has a molecular weight of 304.18 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 124927199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).