4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride

C7H4BrClF3NO3S — CID 131623214

IUPAC4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
SMILESNc1c(Br)cc(S(=O)(=O)Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO3S/c8-4-1-3(17(9,14)15)2-5(6(4)13)16-7(10,11)12/h1-2H,13H2
InChIKeyHMVXQGSKOUNIOF-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride

4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 131623214) has the molecular formula C7H4BrClF3NO3S and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID131623214
Molecular FormulaC7H4BrClF3NO3S
Molecular Weight354.53 g/mol
Exact Mass352.87
IUPAC Name4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
SMILESNc1c(Br)cc(S(=O)(=O)Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO3S/c8-4-1-3(17(9,14)15)2-5(6(4)13)16-7(10,11)12/h1-2H,13H2
InChIKeyHMVXQGSKOUNIOF-UHFFFAOYSA-N
XLogP2.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 118840367
4-amino-3-bromo-5-(trifluoromethoxy)benzenethiol
CID 131138005
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)aniline
CID 23123878
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118844938
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
2-bromo-4-cyano-6-(trifluoromethoxy)benzenesulfonyl chloride
CID 131398746
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
CID 131397948

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride (CID 131623214) is 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride is Nc1c(Br)cc(S(=O)(=O)Cl)cc1OC(F)(F)F.
What is the InChIKey of 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is HMVXQGSKOUNIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO3S/c8-4-1-3(17(9,14)15)2-5(6(4)13)16-7(10,11)12/h1-2H,13H2.
What are the key properties of 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride?
4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 354.53 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 131623214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).