4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide

C10H12Cl2N2O2S2 — CID 62668104

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2S2/c11-7-3-4-8(12)9(6-7)18(15,16)14-5-1-2-10(13)17/h3-4,6,14H,1-2,5H2,(H2,13,17)
InChIKeyYUXHSFQJJGUFPN-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.34
Rot. Bonds6

About 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide

4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide (PubChem CID 62668104) has the molecular formula C10H12Cl2N2O2S2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
PubChem CID62668104
Molecular FormulaC10H12Cl2N2O2S2
Molecular Weight327.26 g/mol
Exact Mass325.97
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2S2/c11-7-3-4-8(12)9(6-7)18(15,16)14-5-1-2-10(13)17/h3-4,6,14H,1-2,5H2,(H2,13,17)
InChIKeyYUXHSFQJJGUFPN-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanethioamide
CID 103088149
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
4-chloro-3-(3-methylsulfanylpropylsulfamoyl)benzenecarbothioamide
CID 80704800
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
3-[(2,5-dichlorophenyl)sulfonyl-methylamino]propanethioamide
CID 43344046
4-chloro-3-(4-methoxybutylsulfamoyl)benzenecarbothioamide
CID 80704137
2-[(2,5-dichlorophenyl)sulfonylamino]oxyacetamide
CID 112673471
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide (CID 62668104) is 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide is NC(=S)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide?
The InChIKey is YUXHSFQJJGUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S2/c11-7-3-4-8(12)9(6-7)18(15,16)14-5-1-2-10(13)17/h3-4,6,14H,1-2,5H2,(H2,13,17).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide?
4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide has a molecular weight of 327.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide is sourced from PubChem (CID 62668104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).