2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride

C7H2ClFN2O4S — CID 131521575

IUPAC2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride
SMILESN#Cc1c([N+](=O)[O-])ccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2ClFN2O4S/c8-16(14,15)7-4(3-10)6(11(12)13)2-1-5(7)9/h1-2H
InChIKeyLSGYRVOJSRZOEJ-UHFFFAOYSA-N
MW264.62 g/mol
LogP1.53
Rot. Bonds2

About 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride

2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride (PubChem CID 131521575) has the molecular formula C7H2ClFN2O4S and a molecular weight of 264.62 g/mol. Its IUPAC name is 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride
PubChem CID131521575
Molecular FormulaC7H2ClFN2O4S
Molecular Weight264.62 g/mol
Exact Mass263.94
IUPAC Name2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride
SMILESN#Cc1c([N+](=O)[O-])ccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2ClFN2O4S/c8-16(14,15)7-4(3-10)6(11(12)13)2-1-5(7)9/h1-2H
InChIKeyLSGYRVOJSRZOEJ-UHFFFAOYSA-N
XLogP1.53
TPSA101.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131489420
3,6-difluoro-2-nitrobenzenesulfonyl chloride
CID 131500772
2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109
6-cyano-3-nitro-2-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 172969856
5-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131485088
2-cyano-3-nitrobenzenesulfonyl fluoride
CID 165459598
4-cyano-2-(difluoromethyl)-6-nitrobenzenesulfonyl chloride
CID 118833910
3-cyano-4-fluoro-5-nitrobenzenesulfonyl chloride
CID 131322149
3-chloro-4-cyano-5-nitrobenzenesulfonyl chloride
CID 131488589
2,4-difluoro-6-nitrobenzonitrile
CID 119017167
ethyl 2-(2-cyano-6-fluoro-3-nitrophenyl)acetate
CID 134654345

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride (CID 131521575) is 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride is N#Cc1c([N+](=O)[O-])ccc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride?
The InChIKey is LSGYRVOJSRZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFN2O4S/c8-16(14,15)7-4(3-10)6(11(12)13)2-1-5(7)9/h1-2H.
What are the key properties of 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride?
2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride has a molecular weight of 264.62 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 131521575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).