5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate

C116H125Cl4N15O16S5 — CID 158165494

IUPAC5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate
SMILESCC(C)Oc1cc(C2CCN(CCO)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.COC(=O)c1ccc(-c2cc(OC)c(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C30H30ClN3O5S.C29H38ClN5O4S.C29H29ClN4O3S.C28H28ClN3O4S2/c1-18(2)40(36,37)28-9-7-6-8-24(28)33-25-16-29(32-17-23(25)31)34-26-14-19(3)22(15-27(26)38-4)20-10-12-21(13-11-20)30(35)39-5;1-19(2)39-26-15-22(21-9-11-35(12-10-21)13-14-36)17-32-29(26)34-28-16-25(23(30)18-31-28)33-24-7-5-6-8-27(24)40(37,38)20(3)4;1-18(2)38(36,37)27-8-6-5-7-25(27)34-26-16-28(32-17-24(26)30)33-22-13-14-23(19(3)15-22)20-9-11-21(12-10-20)29(35)31-4;1-18(2)38(35,36)27-11-6-5-10-25(27)32-26-16-28(30-17-24(26)29)31-21-12-13-23(19(3)14-21)20-8-7-9-22(15-20)37(4,33)34/h6-18H,1-5H3,(H2,32,33,34);5-8,15-21,36H,9-14H2,1-4H3,(H2,31,32,33,34);5-18H,1-4H3,(H,31,35)(H2,32,33,34);5-18H,1-4H3,(H2,30,31,32)
InChIKeyFWUDEKLPADAVIT-UHFFFAOYSA-N
MW2287.51 g/mol
LogP26.46
Rot. Bonds36

About 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate

5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate (PubChem CID 158165494) has the molecular formula C116H125Cl4N15O16S5 and a molecular weight of 2287.51 g/mol. Its IUPAC name is 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate.

Molecular Properties

Compound Name5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate
PubChem CID158165494
Molecular FormulaC116H125Cl4N15O16S5
Molecular Weight2287.51 g/mol
Exact Mass2283.68
IUPAC Name5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate
SMILESCC(C)Oc1cc(C2CCN(CCO)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.COC(=O)c1ccc(-c2cc(OC)c(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C30H30ClN3O5S.C29H38ClN5O4S.C29H29ClN4O3S.C28H28ClN3O4S2/c1-18(2)40(36,37)28-9-7-6-8-24(28)33-25-16-29(32-17-23(25)31)34-26-14-19(3)22(15-27(26)38-4)20-10-12-21(13-11-20)30(35)39-5;1-19(2)39-26-15-22(21-9-11-35(12-10-21)13-14-36)17-32-29(26)34-28-16-25(23(30)18-31-28)33-24-7-5-6-8-27(24)40(37,38)20(3)4;1-18(2)38(36,37)27-8-6-5-7-25(27)34-26-16-28(32-17-24(26)30)33-22-13-14-23(19(3)15-22)20-9-11-21(12-10-20)29(35)31-4;1-18(2)38(35,36)27-11-6-5-10-25(27)32-26-16-28(30-17-24(26)29)31-21-12-13-23(19(3)14-21)20-8-7-9-22(15-20)37(4,33)34/h6-18H,1-5H3,(H2,32,33,34);5-8,15-21,36H,9-14H2,1-4H3,(H2,31,32,33,34);5-18H,1-4H3,(H,31,35)(H2,32,33,34);5-18H,1-4H3,(H2,30,31,32)
InChIKeyFWUDEKLPADAVIT-UHFFFAOYSA-N
XLogP26.46
TPSA428.72 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002287.51
LogP ≤ 526.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate?
The IUPAC name of 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate (CID 158165494) is 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate.
What is the SMILES notation for 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate?
The canonical SMILES for 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate is CC(C)Oc1cc(C2CCN(CCO)CC2)cnc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1.CNC(=O)c1ccc(-c2ccc(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.COC(=O)c1ccc(-c2cc(OC)c(Nc3cc(Nc4ccccc4S(=O)(=O)C(C)C)c(Cl)cn3)cc2C)cc1.Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)ccc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate?
The InChIKey is FWUDEKLPADAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O5S.C29H38ClN5O4S.C29H29ClN4O3S.C28H28ClN3O4S2/c1-18(2)40(36,37)28-9-7-6-8-24(28)33-25-16-29(32-17-23(25)31)34-26-14-19(3)22(15-27(26)38-4)20-10-12-21(13-11-20)30(35)39-5;1-19(2)39-26-15-22(21-9-11-35(12-10-21)13-14-36)17-32-29(26)34-28-16-25(23(30)18-31-28)33-24-7-5-6-8-27(24)40(37,38)20(3)4;1-18(2)38(36,37)27-8-6-5-7-25(27)34-26-16-28(32-17-24(26)30)33-22-13-14-23(19(3)15-22)20-9-11-21(12-10-20)29(35)31-4;1-18(2)38(35,36)27-11-6-5-10-25(27)32-26-16-28(30-17-24(26)29)31-21-12-13-23(19(3)14-21)20-8-7-9-22(15-20)37(4,33)34/h6-18H,1-5H3,(H2,32,33,34);5-8,15-21,36H,9-14H2,1-4H3,(H2,31,32,33,34);5-18H,1-4H3,(H,31,35)(H2,32,33,34);5-18H,1-4H3,(H2,30,31,32).
What are the key properties of 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate?
5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate has a molecular weight of 2287.51 g/mol, XLogP of 26.46, 36 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-2-methylphenyl]-N-methylbenzamide;2-[4-[6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-propan-2-yloxy-3-pyridinyl]piperidin-1-yl]ethanol;methyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-5-methoxy-2-methylphenyl]benzoate is sourced from PubChem (CID 158165494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).