6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride

C7H2Cl2N2O4S — CID 131489420

IUPAC6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
SMILESN#Cc1c([N+](=O)[O-])ccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl2N2O4S/c8-5-1-2-6(11(12)13)4(3-10)7(5)16(9,14)15/h1-2H
InChIKeyFYLRWFHLUFNACT-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.05
Rot. Bonds2

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

6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride (PubChem CID 131489420) has the molecular formula C7H2Cl2N2O4S and a molecular weight of 281.08 g/mol. Its IUPAC name is 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
PubChem CID131489420
Molecular FormulaC7H2Cl2N2O4S
Molecular Weight281.08 g/mol
Exact Mass279.91
IUPAC Name6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
SMILESN#Cc1c([N+](=O)[O-])ccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl2N2O4S/c8-5-1-2-6(11(12)13)4(3-10)7(5)16(9,14)15/h1-2H
InChIKeyFYLRWFHLUFNACT-UHFFFAOYSA-N
XLogP2.05
TPSA101.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.05
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

2-cyano-6-fluoro-3-nitrobenzenesulfonyl chloride
CID 131521575
3-chloro-4-cyano-5-nitrobenzenesulfonyl chloride
CID 131488589
5-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131485088
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
2-chloro-5-cyano-4-nitrobenzenesulfonyl chloride
CID 131488602
6-cyano-3-nitro-2-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 172969856
2,3-dichloro-6-cyanobenzenesulfonyl chloride
CID 130785388
6-bromo-2-chloro-3-nitrobenzenesulfonyl chloride
CID 172969836
2,6-dichloro-3,5-dinitrobenzonitrile
CID 154236492
3-chloro-6-(chloromethyl)-2-cyanobenzenesulfonyl chloride
CID 131523688
2,3-dichloro-4-nitrobenzonitrile
CID 18980576
2-cyano-3-nitrobenzenesulfonyl fluoride
CID 165459598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride (CID 131489420) is 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride is N#Cc1c([N+](=O)[O-])ccc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride?
The InChIKey is FYLRWFHLUFNACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2O4S/c8-5-1-2-6(11(12)13)4(3-10)7(5)16(9,14)15/h1-2H.
What are the key properties of 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride?
6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride has a molecular weight of 281.08 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyano-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 131489420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).