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

C15H14Cl3NO2S2 — CID 126034786

IUPAC2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S2/c16-12-5-6-14(18)15(9-12)23(20,21)19-7-8-22-10-11-3-1-2-4-13(11)17/h1-6,9,19H,7-8,10H2
InChIKeyMEWAVMOFISQJRM-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.86
Rot. Bonds7

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

2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (PubChem CID 126034786) has the molecular formula C15H14Cl3NO2S2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
PubChem CID126034786
Molecular FormulaC15H14Cl3NO2S2
Molecular Weight410.78 g/mol
Exact Mass408.95
IUPAC Name2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO2S2/c16-12-5-6-14(18)15(9-12)23(20,21)19-7-8-22-10-11-3-1-2-4-13(11)17/h1-6,9,19H,7-8,10H2
InChIKeyMEWAVMOFISQJRM-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-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3926813
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
CID 1218599
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-iodo-4-methoxybenzenesulfonamide
CID 3981315
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
3-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 8813776
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
CID 3513225
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (CID 126034786) is 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is O=S(=O)(NCCSCc1ccccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The InChIKey is MEWAVMOFISQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S2/c16-12-5-6-14(18)15(9-12)23(20,21)19-7-8-22-10-11-3-1-2-4-13(11)17/h1-6,9,19H,7-8,10H2.
What are the key properties of 2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-[(2-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-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 126034786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).