4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide

C10H10Br2N2O2S — CID 113464460

IUPAC4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
SMILESCC#CCNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H10Br2N2O2S/c1-2-3-4-14-17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,4,13H2,1H3
InChIKeyIRNAZBFBRCJCAV-UHFFFAOYSA-N
MW382.08 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide

4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide (PubChem CID 113464460) has the molecular formula C10H10Br2N2O2S and a molecular weight of 382.08 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
PubChem CID113464460
Molecular FormulaC10H10Br2N2O2S
Molecular Weight382.08 g/mol
Exact Mass379.88
IUPAC Name4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
SMILESCC#CCNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H10Br2N2O2S/c1-2-3-4-14-17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,4,13H2,1H3
InChIKeyIRNAZBFBRCJCAV-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
CID 43257086
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-amino-2,6-dibromo-N-pent-4-ynylbenzenesulfonamide
CID 106219913
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
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-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
4-amino-2,6-dibromo-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80725860

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide (CID 113464460) is 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide is CC#CCNS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide?
The InChIKey is IRNAZBFBRCJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O2S/c1-2-3-4-14-17(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,4,13H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide?
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide has a molecular weight of 382.08 g/mol, XLogP of 2.10, 3 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-but-2-ynylbenzenesulfonamide is sourced from PubChem (CID 113464460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).