4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide

C12H18Br2N2O2S — CID 43295470

IUPAC4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-4-8(2)7-16(3)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,4,7,15H2,1-3H3
InChIKeyOXBGGSYJDPIBLC-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.46
Rot. Bonds5

About 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide

4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 43295470) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID43295470
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC Name4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-4-8(2)7-16(3)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,4,7,15H2,1-3H3
InChIKeyOXBGGSYJDPIBLC-UHFFFAOYSA-N
XLogP3.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-amino-2,6-dibromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985226
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61116167
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
2-amino-N-methyl-N-(2-methylbutyl)pyridine-4-sulfonamide
CID 62143940

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide (CID 43295470) is 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is OXBGGSYJDPIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-4-8(2)7-16(3)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 414.16 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 43295470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).