2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide

C94H76Cl8N8O16S4 — CID 161390750

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide
SMILESC[C@@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.C[C@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@@H](O)c2ccccc2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/2C26H20Cl2N2O4S.2C21H18Cl2N2O4S/c2*27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;2*1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20/h2*1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;2*13-/m1010/s1
InChIKeyVSYMDMWUAQFTOK-MLIJDWFOSA-N
MW1985.57 g/mol
LogP20.55
Rot. Bonds26

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide (PubChem CID 161390750) has the molecular formula C94H76Cl8N8O16S4 and a molecular weight of 1985.57 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide
PubChem CID161390750
Molecular FormulaC94H76Cl8N8O16S4
Molecular Weight1985.57 g/mol
Exact Mass1980.18
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide
SMILESC[C@@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.C[C@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@@H](O)c2ccccc2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/2C26H20Cl2N2O4S.2C21H18Cl2N2O4S/c2*27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;2*1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20/h2*1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;2*13-/m1010/s1
InChIKeyVSYMDMWUAQFTOK-MLIJDWFOSA-N
XLogP20.55
TPSA385.44 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.57
LogP ≤ 520.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide (CID 161390750) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide is C[C@@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.C[C@H](O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@@H](O)c2ccccc2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The InChIKey is VSYMDMWUAQFTOK-MLIJDWFOSA-N. The full InChI is InChI=1S/2C26H20Cl2N2O4S.2C21H18Cl2N2O4S/c2*27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;2*1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20/h2*1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;2*13-/m1010/s1.
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide has a molecular weight of 1985.57 g/mol, XLogP of 20.55, 26 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide is sourced from PubChem (CID 161390750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).