2,5-dichloro-4-cyanobenzenesulfonyl chloride

C7H2Cl3NO2S — CID 131168951

IUPAC2,5-dichloro-4-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H2Cl3NO2S/c8-5-2-7(14(10,12)13)6(9)1-4(5)3-11/h1-2H
InChIKeyJNQOHEJCMOJERL-UHFFFAOYSA-N
MW270.52 g/mol
LogP2.79
Rot. Bonds1

About 2,5-dichloro-4-cyanobenzenesulfonyl chloride

2,5-dichloro-4-cyanobenzenesulfonyl chloride (PubChem CID 131168951) has the molecular formula C7H2Cl3NO2S and a molecular weight of 270.52 g/mol. Its IUPAC name is 2,5-dichloro-4-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-cyanobenzenesulfonyl chloride
PubChem CID131168951
Molecular FormulaC7H2Cl3NO2S
Molecular Weight270.52 g/mol
Exact Mass268.89
IUPAC Name2,5-dichloro-4-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H2Cl3NO2S/c8-5-2-7(14(10,12)13)6(9)1-4(5)3-11/h1-2H
InChIKeyJNQOHEJCMOJERL-UHFFFAOYSA-N
XLogP2.79
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130960866
2-chloro-5-cyano-4-nitrobenzenesulfonyl chloride
CID 131488602
4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
2,4-dicyanobenzenesulfonyl chloride
CID 19612240
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575
4-chloro-5-chlorosulfonyl-2-ethynylbenzoic acid
CID 22101440
3-chloro-5-cyano-2-sulfanylbenzenesulfonyl chloride
CID 131073149
3-chloro-5-cyano-4-methylbenzenesulfonyl chloride
CID 130778089
2-bromo-3-cyano-5-methylbenzenesulfonyl chloride
CID 130951262
4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
CID 118845241
4-bromo-2-cyano-5-methylbenzenesulfonyl chloride
CID 118844502
3-cyano-5-hydroxy-2-methylbenzenesulfonyl chloride
CID 130779296

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-cyanobenzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-cyanobenzenesulfonyl chloride (CID 131168951) is 2,5-dichloro-4-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-cyanobenzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-cyanobenzenesulfonyl chloride is N#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-cyanobenzenesulfonyl chloride?
The InChIKey is JNQOHEJCMOJERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3NO2S/c8-5-2-7(14(10,12)13)6(9)1-4(5)3-11/h1-2H.
What are the key properties of 2,5-dichloro-4-cyanobenzenesulfonyl chloride?
2,5-dichloro-4-cyanobenzenesulfonyl chloride has a molecular weight of 270.52 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 131168951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).