4-amino-2,5-dichlorobenzenesulfonyl fluoride

C6H4Cl2FNO2S — CID 15333361

IUPAC4-amino-2,5-dichlorobenzenesulfonyl fluoride
SMILESNc1cc(Cl)c(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(9,11)12)4(8)1-5(3)10/h1-2H,10H2
InChIKeyROQLZHMPKLDLQN-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.23
Rot. Bonds1

About 4-amino-2,5-dichlorobenzenesulfonyl fluoride

4-amino-2,5-dichlorobenzenesulfonyl fluoride (PubChem CID 15333361) has the molecular formula C6H4Cl2FNO2S and a molecular weight of 244.07 g/mol. Its IUPAC name is 4-amino-2,5-dichlorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-amino-2,5-dichlorobenzenesulfonyl fluoride
PubChem CID15333361
Molecular FormulaC6H4Cl2FNO2S
Molecular Weight244.07 g/mol
Exact Mass242.93
IUPAC Name4-amino-2,5-dichlorobenzenesulfonyl fluoride
SMILESNc1cc(Cl)c(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(9,11)12)4(8)1-5(3)10/h1-2H,10H2
InChIKeyROQLZHMPKLDLQN-UHFFFAOYSA-N
XLogP2.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.23
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

5-amino-2-chlorobenzenesulfonyl fluoride
CID 54277891
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385
2-amino-4,5-dichlorobenzenesulfonyl chloride
CID 12637874
2,5-dichloro-4-piperazin-1-ylsulfonylaniline
CID 4739576
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
4,6-dichloropyridine-3-sulfonyl fluoride
CID 146013203
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
4-[(4-amino-2,5-dichlorophenyl)sulfonylamino]benzenesulfonic acid;methane
CID 21401196
2,4-diaminobenzenesulfonyl fluoride
CID 21409472
2-amino-3-chloro-5-nitrobenzenesulfonyl fluoride
CID 131358722
4-amino-2,5-dichloro-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70578779
methyl 2,4-dichloro-5-fluorosulfonylbenzoate
CID 122236166

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,5-dichlorobenzenesulfonyl fluoride?
The IUPAC name of 4-amino-2,5-dichlorobenzenesulfonyl fluoride (CID 15333361) is 4-amino-2,5-dichlorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-amino-2,5-dichlorobenzenesulfonyl fluoride?
The canonical SMILES for 4-amino-2,5-dichlorobenzenesulfonyl fluoride is Nc1cc(Cl)c(S(=O)(=O)F)cc1Cl.
What is the InChIKey of 4-amino-2,5-dichlorobenzenesulfonyl fluoride?
The InChIKey is ROQLZHMPKLDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(9,11)12)4(8)1-5(3)10/h1-2H,10H2.
What are the key properties of 4-amino-2,5-dichlorobenzenesulfonyl fluoride?
4-amino-2,5-dichlorobenzenesulfonyl fluoride has a molecular weight of 244.07 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dichlorobenzenesulfonyl fluoride is sourced from PubChem (CID 15333361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).