2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide

C22H15Cl3N2O2S — CID 143971627

IUPAC2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3
InChIKeyHUMUPERQRHHDBF-UHFFFAOYSA-N
MW477.80 g/mol
LogP7.43
Rot. Bonds5

About 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide

2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide (PubChem CID 143971627) has the molecular formula C22H15Cl3N2O2S and a molecular weight of 477.80 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
PubChem CID143971627
Molecular FormulaC22H15Cl3N2O2S
Molecular Weight477.80 g/mol
Exact Mass475.99
IUPAC Name2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3
InChIKeyHUMUPERQRHHDBF-UHFFFAOYSA-N
XLogP7.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.80
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide (CID 143971627) is 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide is Cc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The InChIKey is HUMUPERQRHHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3.
What are the key properties of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide has a molecular weight of 477.80 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide is sourced from PubChem (CID 143971627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).