4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride

C8H3ClF3NO3S2 — CID 118816608

IUPAC4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
SMILESN#Cc1cc(O)c(S(=O)(=O)Cl)cc1SC(F)(F)F
InChIInChI=1S/C8H3ClF3NO3S2/c9-18(15,16)7-2-6(17-8(10,11)12)4(3-13)1-5(7)14/h1-2,14H
InChIKeyLMPMTZPMYUOMRW-UHFFFAOYSA-N
MW317.70 g/mol
LogP2.80
Rot. Bonds2

About 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride

4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride (PubChem CID 118816608) has the molecular formula C8H3ClF3NO3S2 and a molecular weight of 317.70 g/mol. Its IUPAC name is 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
PubChem CID118816608
Molecular FormulaC8H3ClF3NO3S2
Molecular Weight317.70 g/mol
Exact Mass316.92
IUPAC Name4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
SMILESN#Cc1cc(O)c(S(=O)(=O)Cl)cc1SC(F)(F)F
InChIInChI=1S/C8H3ClF3NO3S2/c9-18(15,16)7-2-6(17-8(10,11)12)4(3-13)1-5(7)14/h1-2,14H
InChIKeyLMPMTZPMYUOMRW-UHFFFAOYSA-N
XLogP2.80
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-2-(trifluoromethoxy)-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118810474
4-bromo-5-cyano-2-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 131629561
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575
2-bromo-3-cyano-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 131624590
4-(chloromethyl)-5-cyano-2-hydroxybenzenesulfonyl chloride
CID 131532658
methyl 5-cyano-2-hydroxy-4-(trifluoromethylsulfanyl)benzoate
CID 134647653
4-cyano-2-methyl-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 131373017
methyl 2-cyano-4-hydroxy-5-(trifluoromethylsulfanyl)benzoate
CID 134647729
3-(chloromethyl)-2-cyano-4-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 134626462
methyl 2-chloro-5-cyano-4-(trifluoromethylsulfanyl)benzoate
CID 134646170
4-cyano-2-methoxy-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 118827909
2-(aminomethyl)-4-cyano-3-(trifluoromethylsulfanyl)benzenesulfonyl chloride
CID 134618543

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride?
The IUPAC name of 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride (CID 118816608) is 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride?
The canonical SMILES for 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride is N#Cc1cc(O)c(S(=O)(=O)Cl)cc1SC(F)(F)F.
What is the InChIKey of 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride?
The InChIKey is LMPMTZPMYUOMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO3S2/c9-18(15,16)7-2-6(17-8(10,11)12)4(3-13)1-5(7)14/h1-2,14H.
What are the key properties of 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride?
4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride has a molecular weight of 317.70 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-hydroxy-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride is sourced from PubChem (CID 118816608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).