1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide

C9H11Cl2NO4S2 — CID 124927749

IUPAC1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-2-17(13,14)7-3-4-8(11)9(5-7)12-18(15,16)6-10/h3-5,12H,2,6H2,1H3
InChIKeySSPSCEQKHWBBPT-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.07
Rot. Bonds5

About 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide

1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide (PubChem CID 124927749) has the molecular formula C9H11Cl2NO4S2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
PubChem CID124927749
Molecular FormulaC9H11Cl2NO4S2
Molecular Weight332.23 g/mol
Exact Mass330.95
IUPAC Name1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
SMILESCCS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-2-17(13,14)7-3-4-8(11)9(5-7)12-18(15,16)6-10/h3-5,12H,2,6H2,1H3
InChIKeySSPSCEQKHWBBPT-UHFFFAOYSA-N
XLogP2.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.07
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

4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
1-chloro-4-(chloromethylsulfonyl)-2-methylbenzene
CID 117036669
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
CID 107625962
4-N-(2-chloro-5-ethylsulfonylphenyl)-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,6-diamine
CID 147755411
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 169370073
3-bromo-4-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666622
2-chloro-4-ethylsulfonyl-1-propylbenzene
CID 59864430

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide (CID 124927749) is 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide is CCS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)CCl)c1.
What is the InChIKey of 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide?
The InChIKey is SSPSCEQKHWBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO4S2/c1-2-17(13,14)7-3-4-8(11)9(5-7)12-18(15,16)6-10/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide?
1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide has a molecular weight of 332.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 124927749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).