2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide

C9H12ClNO2S2 — CID 107650614

IUPAC2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)CCCl)cc1
InChIInChI=1S/C9H12ClNO2S2/c1-14-9-4-2-8(3-5-9)11-15(12,13)7-6-10/h2-5,11H,6-7H2,1H3
InChIKeyXXPQNROZBXGEOM-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.39
Rot. Bonds5

About 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide

2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide (PubChem CID 107650614) has the molecular formula C9H12ClNO2S2 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
PubChem CID107650614
Molecular FormulaC9H12ClNO2S2
Molecular Weight265.79 g/mol
Exact Mass265.00
IUPAC Name2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
SMILESCSc1ccc(NS(=O)(=O)CCCl)cc1
InChIInChI=1S/C9H12ClNO2S2/c1-14-9-4-2-8(3-5-9)11-15(12,13)7-6-10/h2-5,11H,6-7H2,1H3
InChIKeyXXPQNROZBXGEOM-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.39
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

1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 107651425
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
CID 103609332
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
CID 107651563
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide (CID 107650614) is 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide is CSc1ccc(NS(=O)(=O)CCCl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide?
The InChIKey is XXPQNROZBXGEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S2/c1-14-9-4-2-8(3-5-9)11-15(12,13)7-6-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide?
2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide has a molecular weight of 265.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide is sourced from PubChem (CID 107650614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).