N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

C15H15Cl2NO2S2 — CID 126035196

IUPACN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S2/c16-14-7-4-8-15(17)13(14)11-21-10-9-18-22(19,20)12-5-2-1-3-6-12/h1-8,18H,9-11H2
InChIKeyRUMUWHMQNYPXCP-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.21
Rot. Bonds7

About N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (PubChem CID 126035196) has the molecular formula C15H15Cl2NO2S2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
PubChem CID126035196
Molecular FormulaC15H15Cl2NO2S2
Molecular Weight376.33 g/mol
Exact Mass374.99
IUPAC NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO2S2/c16-14-7-4-8-15(17)13(14)11-21-10-9-18-22(19,20)12-5-2-1-3-6-12/h1-8,18H,9-11H2
InChIKeyRUMUWHMQNYPXCP-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.21
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

N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2174897
4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3754145
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
CID 3513225
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46772900
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3829648
5-bromo-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide
CID 126180205
4-(benzenesulfonamido)-3-chloro-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 46763529
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 3291034
4-bromo-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2274954
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
CID 9150572
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126034786

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (CID 126035196) is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The InChIKey is RUMUWHMQNYPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S2/c16-14-7-4-8-15(17)13(14)11-21-10-9-18-22(19,20)12-5-2-1-3-6-12/h1-8,18H,9-11H2.
What are the key properties of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide has a molecular weight of 376.33 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 126035196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).