5-amino-2-chlorobenzenesulfonyl fluoride

C6H5ClFNO2S — CID 54277891

IUPAC5-amino-2-chlorobenzenesulfonyl fluoride
SMILESNc1ccc(Cl)c(S(=O)(=O)F)c1
InChIInChI=1S/C6H5ClFNO2S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3H,9H2
InChIKeyRORVILHPWPCHBD-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.58
Rot. Bonds1

About 5-amino-2-chlorobenzenesulfonyl fluoride

5-amino-2-chlorobenzenesulfonyl fluoride (PubChem CID 54277891) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is 5-amino-2-chlorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-amino-2-chlorobenzenesulfonyl fluoride
PubChem CID54277891
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name5-amino-2-chlorobenzenesulfonyl fluoride
SMILESNc1ccc(Cl)c(S(=O)(=O)F)c1
InChIInChI=1S/C6H5ClFNO2S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3H,9H2
InChIKeyRORVILHPWPCHBD-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.58
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

sodium 5-amino-2-chlorobenzenesulfonate
CID 102504052
calcium bis(5-amino-2-chlorobenzenesulfonate)
CID 102504051
2,4-diaminobenzenesulfonyl fluoride
CID 21409472
4-amino-2,5-dichlorobenzenesulfonyl fluoride
CID 15333361
4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
N-(5-amino-2-chlorophenyl)sulfonylacetamide
CID 90103999
4-chloro-3-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61125223
4-chloro-3-(2-ethylbutylsulfonyl)aniline
CID 82935838
4-amino-2-chlorobenzenesulfonamide
CID 12533522
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chlorobenzenesulfonyl fluoride?
The IUPAC name of 5-amino-2-chlorobenzenesulfonyl fluoride (CID 54277891) is 5-amino-2-chlorobenzenesulfonyl fluoride.
What is the SMILES notation for 5-amino-2-chlorobenzenesulfonyl fluoride?
The canonical SMILES for 5-amino-2-chlorobenzenesulfonyl fluoride is Nc1ccc(Cl)c(S(=O)(=O)F)c1.
What is the InChIKey of 5-amino-2-chlorobenzenesulfonyl fluoride?
The InChIKey is RORVILHPWPCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3H,9H2.
What are the key properties of 5-amino-2-chlorobenzenesulfonyl fluoride?
5-amino-2-chlorobenzenesulfonyl fluoride has a molecular weight of 209.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chlorobenzenesulfonyl fluoride is sourced from PubChem (CID 54277891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).