5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride

C9H7Cl2NO2S — CID 131607001

IUPAC5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(Cl)cc(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C9H7Cl2NO2S/c1-2-6-3-7(10)4-9(8(6)5-12)15(11,13)14/h3-4H,2H2,1H3
InChIKeyORIIXKQBCUQGFR-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride

5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride (PubChem CID 131607001) has the molecular formula C9H7Cl2NO2S and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
PubChem CID131607001
Molecular FormulaC9H7Cl2NO2S
Molecular Weight264.13 g/mol
Exact Mass262.96
IUPAC Name5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(Cl)cc(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C9H7Cl2NO2S/c1-2-6-3-7(10)4-9(8(6)5-12)15(11,13)14/h3-4H,2H2,1H3
InChIKeyORIIXKQBCUQGFR-UHFFFAOYSA-N
XLogP2.70
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131485088
5-chloro-2-cyano-3-ethylbenzoic acid
CID 130863050
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
4-cyano-3-ethyl-5-iodobenzenesulfonyl chloride
CID 118850460
4-cyano-3-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131602734
3-(bromomethyl)-2-cyano-4-ethylbenzenesulfonyl chloride
CID 131466813
2-chloro-4-(chloromethyl)-3-cyanobenzenesulfonyl chloride
CID 131523717
3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
CID 131302281
4-cyano-2-ethyl-5-nitrobenzenesulfonyl chloride
CID 118822210
2-cyano-4-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131489136
5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631570
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride (CID 131607001) is 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride is CCc1cc(Cl)cc(S(=O)(=O)Cl)c1C#N.
What is the InChIKey of 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride?
The InChIKey is ORIIXKQBCUQGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2S/c1-2-6-3-7(10)4-9(8(6)5-12)15(11,13)14/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride?
5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride has a molecular weight of 264.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 131607001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).