3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide

C10H13BrN2O2S2 — CID 62667476

IUPAC3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1)C(N)=S
InChIInChI=1S/C10H13BrN2O2S2/c1-7(10(12)16)6-13-17(14,15)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3,(H2,12,16)
InChIKeyFZUOAHGSEJAAEH-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.65
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide

3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide (PubChem CID 62667476) has the molecular formula C10H13BrN2O2S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
PubChem CID62667476
Molecular FormulaC10H13BrN2O2S2
Molecular Weight337.26 g/mol
Exact Mass335.96
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1)C(N)=S
InChIInChI=1S/C10H13BrN2O2S2/c1-7(10(12)16)6-13-17(14,15)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3,(H2,12,16)
InChIKeyFZUOAHGSEJAAEH-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
2-methyl-3-(1H-pyrazol-4-ylsulfonylamino)propanethioamide
CID 62665957
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
4-(2,3-dimethylbutylsulfamoyl)benzenecarbothioamide
CID 64597912
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide (CID 62667476) is 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide is CC(CNS(=O)(=O)c1ccc(Br)cc1)C(N)=S.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide?
The InChIKey is FZUOAHGSEJAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S2/c1-7(10(12)16)6-13-17(14,15)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3,(H2,12,16).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide?
3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide has a molecular weight of 337.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide is sourced from PubChem (CID 62667476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).