2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide

C22H20Cl2N2O4S — CID 118014891

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide
SMILESCC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O4S/c1-14(27)12-31(29,30)13-15-5-7-17(20(24)10-15)22(28)26-16-6-8-19(23)18(11-16)21-4-2-3-9-25-21/h2-11,14,27H,12-13H2,1H3,(H,26,28)
InChIKeyJLSVIVNQQHLAOV-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.60
Rot. Bonds7

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide (PubChem CID 118014891) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide
PubChem CID118014891
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide
SMILESCC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O4S/c1-14(27)12-31(29,30)13-15-5-7-17(20(24)10-15)22(28)26-16-6-8-19(23)18(11-16)21-4-2-3-9-25-21/h2-11,14,27H,12-13H2,1H3,(H,26,28)
InChIKeyJLSVIVNQQHLAOV-UHFFFAOYSA-N
XLogP4.60
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide (CID 118014891) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide is CC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?
The InChIKey is JLSVIVNQQHLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-14(27)12-31(29,30)13-15-5-7-17(20(24)10-15)22(28)26-16-6-8-19(23)18(11-16)21-4-2-3-9-25-21/h2-11,14,27H,12-13H2,1H3,(H,26,28).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide has a molecular weight of 479.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide is sourced from PubChem (CID 118014891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).