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

C89H75Cl7N8O16S4 — CID 159959676

IUPAC2-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;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)cc1.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
InChIInChI=1S/C26H20Cl2N2O4S.2C21H18Cl2N2O4S.C21H19ClN2O4S/c27-22-12-9-18(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;1-14(25)13-29(27,28)17-8-5-15(6-9-17)21(26)24-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20/h1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27);2-12,14,25H,13H2,1H3,(H,24,26)/t25-;2*13-;14-/m1101/s1
InChIKeyODDYZACLAZEODE-ZKRJLCNUSA-N
MW1889.06 g/mol
LogP18.55
Rot. Bonds25

About 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide (PubChem CID 159959676) has the molecular formula C89H75Cl7N8O16S4 and a molecular weight of 1889.06 g/mol. Its IUPAC name is 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;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-[(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide
PubChem CID159959676
Molecular FormulaC89H75Cl7N8O16S4
Molecular Weight1889.06 g/mol
Exact Mass1884.20
IUPAC Name2-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;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)cc1.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
InChIInChI=1S/C26H20Cl2N2O4S.2C21H18Cl2N2O4S.C21H19ClN2O4S/c27-22-12-9-18(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;1-14(25)13-29(27,28)17-8-5-15(6-9-17)21(26)24-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20/h1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27);2-12,14,25H,13H2,1H3,(H,24,26)/t25-;2*13-;14-/m1101/s1
InChIKeyODDYZACLAZEODE-ZKRJLCNUSA-N
XLogP18.55
TPSA385.44 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.06
LogP ≤ 518.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 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;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-[(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;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-[(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide (CID 159959676) is 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;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-[(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;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-[(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;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)cc1.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.
What is the InChIKey of 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The InChIKey is ODDYZACLAZEODE-ZKRJLCNUSA-N. The full InChI is InChI=1S/C26H20Cl2N2O4S.2C21H18Cl2N2O4S.C21H19ClN2O4S/c27-22-12-9-18(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;1-14(25)13-29(27,28)17-8-5-15(6-9-17)21(26)24-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20/h1-15,25,31H,16H2,(H,30,32);2*2-11,13,26H,12H2,1H3,(H,25,27);2-12,14,25H,13H2,1H3,(H,24,26)/t25-;2*13-;14-/m1101/s1.
What are the key properties of 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide has a molecular weight of 1889.06 g/mol, XLogP of 18.55, 25 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-[(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide is sourced from PubChem (CID 159959676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).