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

C7H4BrClF3NO2S — CID 118840367

IUPAC4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESNc1c(Br)cc(S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C7H4BrClF3NO2S/c8-5-2-3(16(9,14)15)1-4(6(5)13)7(10,11)12/h1-2H,13H2
InChIKeyKPLBQQYLZNESHX-UHFFFAOYSA-N
MW338.53 g/mol
LogP2.98
Rot. Bonds1

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

4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 118840367) has the molecular formula C7H4BrClF3NO2S and a molecular weight of 338.53 g/mol. Its IUPAC name is 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID118840367
Molecular FormulaC7H4BrClF3NO2S
Molecular Weight338.53 g/mol
Exact Mass336.88
IUPAC Name4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESNc1c(Br)cc(S(=O)(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C7H4BrClF3NO2S/c8-5-2-3(16(9,14)15)1-4(6(5)13)7(10,11)12/h1-2H,13H2
InChIKeyKPLBQQYLZNESHX-UHFFFAOYSA-N
XLogP2.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 131623214
2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)aniline
CID 23123878
3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
CID 154168483
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 131321610
2,6-dibromo-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)aniline
CID 23123884
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
3-cyano-4-methyl-5-(trifluoromethyl)benzenesulfonyl chloride
CID 131253709
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride (CID 118840367) is 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride is Nc1c(Br)cc(S(=O)(=O)Cl)cc1C(F)(F)F.
What is the InChIKey of 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is KPLBQQYLZNESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO2S/c8-5-2-3(16(9,14)15)1-4(6(5)13)7(10,11)12/h1-2H,13H2.
What are the key properties of 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 338.53 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 118840367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).