N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide

C10H13Br2NO2S — CID 60640320

IUPACN-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H13Br2NO2S/c1-3-4-16(14,15)13-10-8(11)5-7(2)6-9(10)12/h5-6,13H,3-4H2,1-2H3
InChIKeyOOOWSCYHWSINQP-UHFFFAOYSA-N
MW371.09 g/mol
LogP3.67
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide

N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide (PubChem CID 60640320) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
PubChem CID60640320
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC NameN-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H13Br2NO2S/c1-3-4-16(14,15)13-10-8(11)5-7(2)6-9(10)12/h5-6,13H,3-4H2,1-2H3
InChIKeyOOOWSCYHWSINQP-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
N-(2-bromo-4,6-dimethylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106072928
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
3-methyl-5-(propylsulfonylamino)benzoic acid
CID 135240284
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide (CID 60640320) is N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide?
The InChIKey is OOOWSCYHWSINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/c1-3-4-16(14,15)13-10-8(11)5-7(2)6-9(10)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide?
N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide has a molecular weight of 371.09 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).