4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride

C7H3Cl2NO3S — CID 118799842

IUPAC4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H3Cl2NO3S/c8-5-1-2-6(14(9,12)13)7(11)4(5)3-10/h1-2,11H
InChIKeyLPGFAANRQZTTNK-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.84
Rot. Bonds1

About 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride

4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride (PubChem CID 118799842) has the molecular formula C7H3Cl2NO3S and a molecular weight of 252.08 g/mol. Its IUPAC name is 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride
PubChem CID118799842
Molecular FormulaC7H3Cl2NO3S
Molecular Weight252.08 g/mol
Exact Mass250.92
IUPAC Name4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H3Cl2NO3S/c8-5-1-2-6(14(9,12)13)7(11)4(5)3-10/h1-2,11H
InChIKeyLPGFAANRQZTTNK-UHFFFAOYSA-N
XLogP1.84
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 118799882
4-Chloro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 87724299
3-Cyano-2-hydroxybenzenesulfonyl chloride
CID 55280806
4-Chloro-3-cyano-2-methoxybenzenesulfonyl chloride
CID 118844480
4-Chloro-2-cyano-6-hydroxybenzene-1-sulfonyl chloride
CID 118850932
2-Chloro-3-cyano-6-hydroxybenzenesulfonyl chloride
CID 130952334
4-Chloro-5-cyano-2-hydroxybenzenesulfonyl chloride
CID 130971496
2-Chloro-3-cyano-4-hydroxybenzenesulfonyl chloride
CID 131057758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride (CID 118799842) is 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride is N#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride?
The InChIKey is LPGFAANRQZTTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO3S/c8-5-1-2-6(14(9,12)13)7(11)4(5)3-10/h1-2,11H.
What are the key properties of 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride?
4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride has a molecular weight of 252.08 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 118799842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).