4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide

C18H12ClN3O3S — CID 5013745

IUPAC4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H12ClN3O3S/c19-17-4-1-5-18(16(17)11-20)25-14-6-8-15(9-7-14)26(23,24)22-13-3-2-10-21-12-13/h1-10,12,22H
InChIKeyHWOCTJAKUZMSSS-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.20
Rot. Bonds5

About 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide

4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 5013745) has the molecular formula C18H12ClN3O3S and a molecular weight of 385.83 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID5013745
Molecular FormulaC18H12ClN3O3S
Molecular Weight385.83 g/mol
Exact Mass385.03
IUPAC Name4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H12ClN3O3S/c19-17-4-1-5-18(16(17)11-20)25-14-6-8-15(9-7-14)26(23,24)22-13-3-2-10-21-12-13/h1-10,12,22H
InChIKeyHWOCTJAKUZMSSS-UHFFFAOYSA-N
XLogP4.20
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide (CID 5013745) is 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide is N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is HWOCTJAKUZMSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S/c19-17-4-1-5-18(16(17)11-20)25-14-6-8-15(9-7-14)26(23,24)22-13-3-2-10-21-12-13/h1-10,12,22H.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 385.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-cyanophenoxy)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 5013745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).