2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide

C10H12Br2N2O2S2 — CID 61119645

IUPAC2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)c1cc(Br)ccc1Br)C(N)=S
InChIInChI=1S/C10H12Br2N2O2S2/c1-10(2,9(13)17)14-18(15,16)8-5-6(11)3-4-7(8)12/h3-5,14H,1-2H3,(H2,13,17)
InChIKeyUZVYOHBMWZFPPB-UHFFFAOYSA-N
MW416.16 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide

2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide (PubChem CID 61119645) has the molecular formula C10H12Br2N2O2S2 and a molecular weight of 416.16 g/mol. Its IUPAC name is 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide.

Molecular Properties

Compound Name2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide
PubChem CID61119645
Molecular FormulaC10H12Br2N2O2S2
Molecular Weight416.16 g/mol
Exact Mass413.87
IUPAC Name2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)c1cc(Br)ccc1Br)C(N)=S
InChIInChI=1S/C10H12Br2N2O2S2/c1-10(2,9(13)17)14-18(15,16)8-5-6(11)3-4-7(8)12/h3-5,14H,1-2H3,(H2,13,17)
InChIKeyUZVYOHBMWZFPPB-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 52.55
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-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2-methyl-2-[(2,4,6-trifluorophenyl)sulfonylamino]propanethioamide
CID 61119447
2,5-dibromobenzenesulfonate
CID 5251665
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
CID 141430379
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide?
The IUPAC name of 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide (CID 61119645) is 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide.
What is the SMILES notation for 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide?
The canonical SMILES for 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide is CC(C)(NS(=O)(=O)c1cc(Br)ccc1Br)C(N)=S.
What is the InChIKey of 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide?
The InChIKey is UZVYOHBMWZFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2S2/c1-10(2,9(13)17)14-18(15,16)8-5-6(11)3-4-7(8)12/h3-5,14H,1-2H3,(H2,13,17).
What are the key properties of 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide?
2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide has a molecular weight of 416.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide is sourced from PubChem (CID 61119645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).