4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide

C12H18Br2N2O2S — CID 61463460

IUPAC4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-4-7(2)8(3)16-19(17,18)12-10(13)5-9(15)6-11(12)14/h5-8,16H,4,15H2,1-3H3
InChIKeyMQKMLVBFVCFSRO-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.51
Rot. Bonds5

About 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide

4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61463460) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID61463460
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC Name4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-4-7(2)8(3)16-19(17,18)12-10(13)5-9(15)6-11(12)14/h5-8,16H,4,15H2,1-3H3
InChIKeyMQKMLVBFVCFSRO-UHFFFAOYSA-N
XLogP3.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.51
H-Bond Donors ≤ 52
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-pentan-2-ylbenzenesulfonamide
CID 43258159
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 61463460) is 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is MQKMLVBFVCFSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-4-7(2)8(3)16-19(17,18)12-10(13)5-9(15)6-11(12)14/h5-8,16H,4,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 414.16 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61463460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).