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

C95H78Cl8N8O16S4 — CID 158265144

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide
SMILESCC(C)(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.C22H20Cl2N2O4S.C21H18Cl2N2O4S/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;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;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);3-12,28H,13H2,1-2H3,(H,26,27);2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;;13-/m10.1/s1
InChIKeyGIIOWXGQAMPTTM-ZSABCQOWSA-N
MW1999.60 g/mol
LogP20.94
Rot. Bonds26

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

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide (PubChem CID 158265144) has the molecular formula C95H78Cl8N8O16S4 and a molecular weight of 1999.60 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide
PubChem CID158265144
Molecular FormulaC95H78Cl8N8O16S4
Molecular Weight1999.60 g/mol
Exact Mass1994.19
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide
SMILESCC(C)(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.C22H20Cl2N2O4S.C21H18Cl2N2O4S/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;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;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);3-12,28H,13H2,1-2H3,(H,26,27);2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;;13-/m10.1/s1
InChIKeyGIIOWXGQAMPTTM-ZSABCQOWSA-N
XLogP20.94
TPSA385.44 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001999.60
LogP ≤ 520.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(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-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide (CID 158265144) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide is CC(C)(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-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
The InChIKey is GIIOWXGQAMPTTM-ZSABCQOWSA-N. The full InChI is InChI=1S/2C26H20Cl2N2O4S.C22H20Cl2N2O4S.C21H18Cl2N2O4S/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;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;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);3-12,28H,13H2,1-2H3,(H,26,27);2-11,13,26H,12H2,1H3,(H,25,27)/t2*25-;;13-/m10.1/s1.
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide has a molecular weight of 1999.60 g/mol, XLogP of 20.94, 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-(2-hydroxy-2-methylpropyl)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-[(2R)-2-hydroxypropyl]sulfonylbenzamide is sourced from PubChem (CID 158265144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).