1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide

C9H11Cl2NO2S — CID 63666784

IUPAC1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H11Cl2NO2S/c10-7-15(13,14)12-6-5-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2
InChIKeyZXGJYGIQBOFSGJ-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.00
Rot. Bonds5

About 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide

1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide (PubChem CID 63666784) has the molecular formula C9H11Cl2NO2S and a molecular weight of 268.17 g/mol. Its IUPAC name is 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
PubChem CID63666784
Molecular FormulaC9H11Cl2NO2S
Molecular Weight268.17 g/mol
Exact Mass266.99
IUPAC Name1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H11Cl2NO2S/c10-7-15(13,14)12-6-5-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2
InChIKeyZXGJYGIQBOFSGJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.00
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

1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
N-[2-(4-chlorophenyl)ethyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2422576
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide (CID 63666784) is 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide is O=S(=O)(CCl)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The InChIKey is ZXGJYGIQBOFSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2S/c10-7-15(13,14)12-6-5-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2.
What are the key properties of 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide has a molecular weight of 268.17 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 63666784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).