2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide

C16H15Cl2NO3S — CID 86735248

IUPAC2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C(=O)CCl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11(12-5-3-2-4-6-12)19-23(21,22)16-9-13(15(20)10-17)7-8-14(16)18/h2-9,11,19H,10H2,1H3
InChIKeyXFSUREBGBRBXGL-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide

2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 86735248) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID86735248
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C(=O)CCl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11(12-5-3-2-4-6-12)19-23(21,22)16-9-13(15(20)10-17)7-8-14(16)18/h2-9,11,19H,10H2,1H3
InChIKeyXFSUREBGBRBXGL-UHFFFAOYSA-N
XLogP3.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 69466886
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
methyl 4-chloro-3-[1-(4-ethoxyphenyl)ethylsulfamoyl]benzoate
CID 55598676
2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
CID 88831964
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
4-(3-hydroxypropylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979178
4-(3-hydroxypropylamino)-3-[[(1S)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979182
3-[[(1S)-1-phenylethyl]sulfamoyl]-4-pyrrolidin-1-ylbenzoic acid
CID 99979248
4-(2-methoxyethylamino)-3-(1-phenylethylsulfamoyl)benzoic acid
CID 132656810
4-(2-methoxyethylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide (CID 86735248) is 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(C(=O)CCl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is XFSUREBGBRBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-11(12-5-3-2-4-6-12)19-23(21,22)16-9-13(15(20)10-17)7-8-14(16)18/h2-9,11,19H,10H2,1H3.
What are the key properties of 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide?
2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 86735248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).