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

C20H16Cl2N2O3S — CID 143198912

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)CCO)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)28(27)10-9-25/h1-8,11-12,25H,9-10H2,(H,24,26)
InChIKeyISNRGWATWJMTNM-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.41
Rot. Bonds6

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

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide (PubChem CID 143198912) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
PubChem CID143198912
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)CCO)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)28(27)10-9-25/h1-8,11-12,25H,9-10H2,(H,24,26)
InChIKeyISNRGWATWJMTNM-UHFFFAOYSA-N
XLogP4.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 58614772
tert-butyl N-[[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 66877970
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 170124259
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(1,2-oxazol-5-yl)carbamimidoyl]benzamide
CID 147378946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide (CID 143198912) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)CCO)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide?
The InChIKey is ISNRGWATWJMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)28(27)10-9-25/h1-8,11-12,25H,9-10H2,(H,24,26).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide has a molecular weight of 435.33 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide is sourced from PubChem (CID 143198912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).