3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide

C9H11Cl2NO4S2 — CID 110359442

IUPAC3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-17(13,14)5-4-12-18(15,16)7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyBOLWLNVCVGNFMS-UHFFFAOYSA-N
MW332.23 g/mol
LogP1.32
Rot. Bonds5

About 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide

3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 110359442) has the molecular formula C9H11Cl2NO4S2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID110359442
Molecular FormulaC9H11Cl2NO4S2
Molecular Weight332.23 g/mol
Exact Mass330.95
IUPAC Name3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-17(13,14)5-4-12-18(15,16)7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyBOLWLNVCVGNFMS-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110345304
2-chloro-N-(2-methylsulfonylethyl)-5-nitrobenzenesulfonamide
CID 60918252
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 110359442) is 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is BOLWLNVCVGNFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO4S2/c1-17(13,14)5-4-12-18(15,16)7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide?
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 332.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 110359442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).