4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide

C13H21Br2N3O2S — CID 61476435

IUPAC4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H21Br2N3O2S/c1-8(2)12(7-18(3)4)17-21(19,20)13-10(14)5-9(16)6-11(13)15/h5-6,8,12,17H,7,16H2,1-4H3
InChIKeyHSGUTKXJRQSSKZ-UHFFFAOYSA-N
MW443.21 g/mol
LogP2.66
Rot. Bonds6

About 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide

4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 61476435) has the molecular formula C13H21Br2N3O2S and a molecular weight of 443.21 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID61476435
Molecular FormulaC13H21Br2N3O2S
Molecular Weight443.21 g/mol
Exact Mass440.97
IUPAC Name4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H21Br2N3O2S/c1-8(2)12(7-18(3)4)17-21(19,20)13-10(14)5-9(16)6-11(13)15/h5-6,8,12,17H,7,16H2,1-4H3
InChIKeyHSGUTKXJRQSSKZ-UHFFFAOYSA-N
XLogP2.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.21
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61468709
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide (CID 61476435) is 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is HSGUTKXJRQSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br2N3O2S/c1-8(2)12(7-18(3)4)17-21(19,20)13-10(14)5-9(16)6-11(13)15/h5-6,8,12,17H,7,16H2,1-4H3.
What are the key properties of 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide?
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 443.21 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 61476435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).