3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid

C10H11Br2NO4S — CID 63111776

IUPAC3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid
SMILESCC(C)S(=O)(=O)Nc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H11Br2NO4S/c1-5(2)18(16,17)13-9-7(10(14)15)3-6(11)4-8(9)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyDURCHNLGPKLESF-UHFFFAOYSA-N
MW401.08 g/mol
LogP3.06
Rot. Bonds4

About 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid

3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid (PubChem CID 63111776) has the molecular formula C10H11Br2NO4S and a molecular weight of 401.08 g/mol. Its IUPAC name is 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid
PubChem CID63111776
Molecular FormulaC10H11Br2NO4S
Molecular Weight401.08 g/mol
Exact Mass398.88
IUPAC Name3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid
SMILESCC(C)S(=O)(=O)Nc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H11Br2NO4S/c1-5(2)18(16,17)13-9-7(10(14)15)3-6(11)4-8(9)12/h3-5,13H,1-2H3,(H,14,15)
InChIKeyDURCHNLGPKLESF-UHFFFAOYSA-N
XLogP3.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid 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

3,5-dibromo-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79592438
3,5-dibromo-2-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoic acid
CID 63111808
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
CID 63408850
3,5-dibromo-2-(2-methoxyethylsulfonylamino)benzoic acid
CID 63111807
3,5-dibromo-2-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 63111857
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dibromobenzoic acid
CID 63112369
2-[(4-amino-3-methylbutanoyl)amino]-3,5-dibromobenzoic acid
CID 81080755
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
3,5-dibromo-2-(dimethylaminocarbamoylamino)benzoic acid
CID 83019246
3,5-dibromo-2-[2-(dimethylamino)propylcarbamoylamino]benzoic acid
CID 63112153
2-(acetylcarbamothioylamino)-3,5-dibromobenzoic acid
CID 3259914
3,5-dibromo-2-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168610511

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid (CID 63111776) is 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid is CC(C)S(=O)(=O)Nc1c(Br)cc(Br)cc1C(=O)O.
What is the InChIKey of 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid?
The InChIKey is DURCHNLGPKLESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO4S/c1-5(2)18(16,17)13-9-7(10(14)15)3-6(11)4-8(9)12/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid?
3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid has a molecular weight of 401.08 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(propan-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 63111776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).