N-(benzenesulfonyl)-2,2-dichloroacetamide

C8H7Cl2NO3S — CID 3778605

IUPACN-(benzenesulfonyl)-2,2-dichloroacetamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C8H7Cl2NO3S/c9-7(10)8(12)11-15(13,14)6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
InChIKeyQDHSNPAUYQEVTG-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.30
Rot. Bonds3

About N-(benzenesulfonyl)-2,2-dichloroacetamide

N-(benzenesulfonyl)-2,2-dichloroacetamide (PubChem CID 3778605) has the molecular formula C8H7Cl2NO3S and a molecular weight of 268.12 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2,2-dichloroacetamide
PubChem CID3778605
Molecular FormulaC8H7Cl2NO3S
Molecular Weight268.12 g/mol
Exact Mass266.95
IUPAC NameN-(benzenesulfonyl)-2,2-dichloroacetamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C8H7Cl2NO3S/c9-7(10)8(12)11-15(13,14)6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
InChIKeyQDHSNPAUYQEVTG-UHFFFAOYSA-N
XLogP1.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.30
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

N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
(2S)-N-(benzenesulfonyl)-2-bromopentanamide
CID 7035642
ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
methyl N-(benzenesulfonyl)carbamate
CID 676519
(E)-N'-(benzenesulfonyl)but-2-enediamide
CID 22610827
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2,2-dichloroacetamide?
The IUPAC name of N-(benzenesulfonyl)-2,2-dichloroacetamide (CID 3778605) is N-(benzenesulfonyl)-2,2-dichloroacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2,2-dichloroacetamide?
The canonical SMILES for N-(benzenesulfonyl)-2,2-dichloroacetamide is O=C(NS(=O)(=O)c1ccccc1)C(Cl)Cl.
What is the InChIKey of N-(benzenesulfonyl)-2,2-dichloroacetamide?
The InChIKey is QDHSNPAUYQEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3S/c9-7(10)8(12)11-15(13,14)6-4-2-1-3-5-6/h1-5,7H,(H,11,12).
What are the key properties of N-(benzenesulfonyl)-2,2-dichloroacetamide?
N-(benzenesulfonyl)-2,2-dichloroacetamide has a molecular weight of 268.12 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2,2-dichloroacetamide is sourced from PubChem (CID 3778605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).