2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide

C11H15ClN2O2S2 — CID 61123488

IUPAC2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1ccccc1Cl)C(N)=S
InChIInChI=1S/C11H15ClN2O2S2/c1-3-11(2,10(13)17)14-18(15,16)9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,17)
InChIKeyJPBDQRQBTVPVLP-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide

2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide (PubChem CID 61123488) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
PubChem CID61123488
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1ccccc1Cl)C(N)=S
InChIInChI=1S/C11H15ClN2O2S2/c1-3-11(2,10(13)17)14-18(15,16)9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,17)
InChIKeyJPBDQRQBTVPVLP-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872
2-[(2-chlorophenyl)sulfonylamino]propanethioamide
CID 61124636
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886
2-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329106
3-chloro-4-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329117
2-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanethioamide
CID 61124089
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
CID 103414629
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
CID 79989092
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide (CID 61123488) is 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)c1ccccc1Cl)C(N)=S.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide?
The InChIKey is JPBDQRQBTVPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-3-11(2,10(13)17)14-18(15,16)9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,17).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide?
2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide has a molecular weight of 306.84 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide is sourced from PubChem (CID 61123488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).