4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride

C13H7Cl2NO3S — CID 2776917

IUPAC4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H7Cl2NO3S/c14-12-2-1-3-13(11(12)8-16)19-9-4-6-10(7-5-9)20(15,17)18/h1-7H
InChIKeySCSJREMEEIARHE-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.93
Rot. Bonds3

About 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride

4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride (PubChem CID 2776917) has the molecular formula C13H7Cl2NO3S and a molecular weight of 328.18 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
PubChem CID2776917
Molecular FormulaC13H7Cl2NO3S
Molecular Weight328.18 g/mol
Exact Mass326.95
IUPAC Name4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H7Cl2NO3S/c14-12-2-1-3-13(11(12)8-16)19-9-4-6-10(7-5-9)20(15,17)18/h1-7H
InChIKeySCSJREMEEIARHE-UHFFFAOYSA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride (CID 2776917) is 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride is N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
The InChIKey is SCSJREMEEIARHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO3S/c14-12-2-1-3-13(11(12)8-16)19-9-4-6-10(7-5-9)20(15,17)18/h1-7H.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride?
4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride has a molecular weight of 328.18 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2776917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).