2-azido-1,3-dibromo-5-methylsulfonylbenzene

C7H5Br2N3O2S — CID 150972756

IUPAC2-azido-1,3-dibromo-5-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Br)c(N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C7H5Br2N3O2S/c1-15(13,14)4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3
InChIKeyLOLNVMNGFNBRRN-UHFFFAOYSA-N
MW355.01 g/mol
LogP3.56
Rot. Bonds2

About 2-azido-1,3-dibromo-5-methylsulfonylbenzene

2-azido-1,3-dibromo-5-methylsulfonylbenzene (PubChem CID 150972756) has the molecular formula C7H5Br2N3O2S and a molecular weight of 355.01 g/mol. Its IUPAC name is 2-azido-1,3-dibromo-5-methylsulfonylbenzene.

Molecular Properties

Compound Name2-azido-1,3-dibromo-5-methylsulfonylbenzene
PubChem CID150972756
Molecular FormulaC7H5Br2N3O2S
Molecular Weight355.01 g/mol
Exact Mass352.85
IUPAC Name2-azido-1,3-dibromo-5-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Br)c(N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C7H5Br2N3O2S/c1-15(13,14)4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3
InChIKeyLOLNVMNGFNBRRN-UHFFFAOYSA-N
XLogP3.56
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.01
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 4-azido-3,5-dibromobenzoate
CID 15005123
2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
CID 169325406
2-azido-1,3-dibromobenzene
CID 23583922
2-azido-1,3-dibromo-5-butylbenzene
CID 151556371
1-azido-2-fluoro-4-methylsulfonylbenzene
CID 130568437
1-azido-2-bromo-4-(difluoromethylsulfonyl)benzene
CID 169326408
2,4-diazido-1,3,5-trimethylbenzene
CID 71379513
2-azido-1-bromo-5-methoxy-3-nitrobenzene
CID 169324865
N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
2-bromo-1,3-dichloro-5-methylsulfonylbenzene
CID 53416560
2-azido-1-bromo-3-methylbenzene
CID 151337458
2-azido-5-bromo-1,3-dichlorobenzene
CID 43154615

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-dibromo-5-methylsulfonylbenzene?
The IUPAC name of 2-azido-1,3-dibromo-5-methylsulfonylbenzene (CID 150972756) is 2-azido-1,3-dibromo-5-methylsulfonylbenzene.
What is the SMILES notation for 2-azido-1,3-dibromo-5-methylsulfonylbenzene?
The canonical SMILES for 2-azido-1,3-dibromo-5-methylsulfonylbenzene is CS(=O)(=O)c1cc(Br)c(N=[N+]=[N-])c(Br)c1.
What is the InChIKey of 2-azido-1,3-dibromo-5-methylsulfonylbenzene?
The InChIKey is LOLNVMNGFNBRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N3O2S/c1-15(13,14)4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3.
What are the key properties of 2-azido-1,3-dibromo-5-methylsulfonylbenzene?
2-azido-1,3-dibromo-5-methylsulfonylbenzene has a molecular weight of 355.01 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-dibromo-5-methylsulfonylbenzene is sourced from PubChem (CID 150972756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).