4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride

C8H4ClF2NO3S — CID 118827475

IUPAC4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C8H4ClF2NO3S/c9-16(14,15)5-2-1-4(3-12)6(7(5)13)8(10)11/h1-2,8,13H
InChIKeyHWMLDLHKXSPWKD-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.13
Rot. Bonds2

About 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride

4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 118827475) has the molecular formula C8H4ClF2NO3S and a molecular weight of 267.64 g/mol. Its IUPAC name is 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
PubChem CID118827475
Molecular FormulaC8H4ClF2NO3S
Molecular Weight267.64 g/mol
Exact Mass266.96
IUPAC Name4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C8H4ClF2NO3S/c9-16(14,15)5-2-1-4(3-12)6(7(5)13)8(10)11/h1-2,8,13H
InChIKeyHWMLDLHKXSPWKD-UHFFFAOYSA-N
XLogP2.13
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride (CID 118827475) is 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)c(O)c1C(F)F.
What is the InChIKey of 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is HWMLDLHKXSPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NO3S/c9-16(14,15)5-2-1-4(3-12)6(7(5)13)8(10)11/h1-2,8,13H.
What are the key properties of 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 267.64 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 118827475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).