2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

C15H14Cl3NO2S2 — CID 3926813

IUPAC2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S2/c16-12-3-1-2-11(8-12)10-22-7-6-19-23(20,21)15-9-13(17)4-5-14(15)18/h1-5,8-9,19H,6-7,10H2
InChIKeyQQDIDJTXDIQQPG-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.86
Rot. Bonds7

About 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (PubChem CID 3926813) has the molecular formula C15H14Cl3NO2S2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
PubChem CID3926813
Molecular FormulaC15H14Cl3NO2S2
Molecular Weight410.78 g/mol
Exact Mass408.95
IUPAC Name2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S2/c16-12-3-1-2-11(8-12)10-22-7-6-19-23(20,21)15-9-13(17)4-5-14(15)18/h1-5,8-9,19H,6-7,10H2
InChIKeyQQDIDJTXDIQQPG-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126034786
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690126
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 3291034
4-bromo-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2274954
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
methyl 4-[2-[(3-chlorophenyl)methylsulfanyl]ethylsulfamoylmethyl]benzoate
CID 43909343
2-[(3-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 18526229
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
3-[(2-chlorophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100754404

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (CID 3926813) is 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is O=S(=O)(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The InChIKey is QQDIDJTXDIQQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S2/c16-12-3-1-2-11(8-12)10-22-7-6-19-23(20,21)15-9-13(17)4-5-14(15)18/h1-5,8-9,19H,6-7,10H2.
What are the key properties of 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide has a molecular weight of 410.78 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3926813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).