4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride

C9H8ClNO3S — CID 131631575

IUPAC4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)c(O)cc1C#N
InChIInChI=1S/C9H8ClNO3S/c1-2-6-4-9(15(10,13)14)8(12)3-7(6)5-11/h3-4,12H,2H2,1H3
InChIKeyVSXNNLQQCYYICK-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.75
Rot. Bonds2

About 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride

4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride (PubChem CID 131631575) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
PubChem CID131631575
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)c(O)cc1C#N
InChIInChI=1S/C9H8ClNO3S/c1-2-6-4-9(15(10,13)14)8(12)3-7(6)5-11/h3-4,12H,2H2,1H3
InChIKeyVSXNNLQQCYYICK-UHFFFAOYSA-N
XLogP1.75
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-5-cyano-2-hydroxybenzenesulfonyl chloride
CID 131532658
2-cyano-4-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131489136
5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631570
5-cyano-4-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468276
4-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 118822348
4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118816608
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
4-cyano-2,5-diethyl-N-methylbenzenesulfonamide
CID 21492097
4-cyano-2-ethyl-5-nitrobenzenesulfonyl chloride
CID 118822210
3-cyano-5-hydroxy-2-methylbenzenesulfonyl chloride
CID 130779296
4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
CID 118845241
5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
CID 131607001

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride (CID 131631575) is 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)c(O)cc1C#N.
What is the InChIKey of 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride?
The InChIKey is VSXNNLQQCYYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-6-4-9(15(10,13)14)8(12)3-7(6)5-11/h3-4,12H,2H2,1H3.
What are the key properties of 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride?
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 131631575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).