2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate

C12H14Cl2N2O2S3 — CID 74229225

IUPAC2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate
SMILESO=S(=O)(NCCSC(=S)NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2S3/c13-8-1-4-11(10(14)7-8)21(17,18)15-5-6-20-12(19)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,19)
InChIKeyVJICAPTUALLTMU-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.04
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate

2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate (PubChem CID 74229225) has the molecular formula C12H14Cl2N2O2S3 and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate
PubChem CID74229225
Molecular FormulaC12H14Cl2N2O2S3
Molecular Weight385.36 g/mol
Exact Mass383.96
IUPAC Name2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate
SMILESO=S(=O)(NCCSC(=S)NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2S3/c13-8-1-4-11(10(14)7-8)21(17,18)15-5-6-20-12(19)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,19)
InChIKeyVJICAPTUALLTMU-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
CID 39657222
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate?
The IUPAC name of 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate (CID 74229225) is 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate?
The canonical SMILES for 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate is O=S(=O)(NCCSC(=S)NC1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate?
The InChIKey is VJICAPTUALLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S3/c13-8-1-4-11(10(14)7-8)21(17,18)15-5-6-20-12(19)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,19).
What are the key properties of 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate?
2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate has a molecular weight of 385.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)sulfonylamino]ethyl N-cyclopropylcarbamodithioate is sourced from PubChem (CID 74229225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).