4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide

C66H70Cl2F6N10O10S2 — CID 158395871

IUPAC4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(Cl)cc2O[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N(C)C)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(O[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C)cc2Cl)c(OC)c1
InChIInChI=1S/2C33H35ClF3N5O5S/c1-41(2)27-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-28(27)47-32-17-26(34)30(18-39-32)48(43,44)42(31-12-13-38-20-40-31)19-23-8-10-25(45-3)16-29(23)46-4;1-41(2)26-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-27(26)47-29-17-31(34)39-18-30(29)48(43,44)42(32-12-13-38-20-40-32)19-23-8-10-25(45-3)16-28(23)46-4/h5-8,10,12-14,16-18,20,22,27-28H,9,11,15,19H2,1-4H3;5-8,10,12-14,16-18,20,22,26-27H,9,11,15,19H2,1-4H3/t22-,27-,28-;22-,26-,27-/m00/s1
InChIKeyGXNQFOPYCCFWCN-YLQTWNDYSA-N
MW1412.37 g/mol
LogP13.20
Rot. Bonds22

About 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide

4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide (PubChem CID 158395871) has the molecular formula C66H70Cl2F6N10O10S2 and a molecular weight of 1412.37 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
PubChem CID158395871
Molecular FormulaC66H70Cl2F6N10O10S2
Molecular Weight1412.37 g/mol
Exact Mass1410.40
IUPAC Name4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCOc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(Cl)cc2O[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N(C)C)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(O[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C)cc2Cl)c(OC)c1
InChIInChI=1S/2C33H35ClF3N5O5S/c1-41(2)27-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-28(27)47-32-17-26(34)30(18-39-32)48(43,44)42(31-12-13-38-20-40-31)19-23-8-10-25(45-3)16-29(23)46-4;1-41(2)26-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-27(26)47-29-17-31(34)39-18-30(29)48(43,44)42(32-12-13-38-20-40-32)19-23-8-10-25(45-3)16-28(23)46-4/h5-8,10,12-14,16-18,20,22,27-28H,9,11,15,19H2,1-4H3;5-8,10,12-14,16-18,20,22,26-27H,9,11,15,19H2,1-4H3/t22-,27-,28-;22-,26-,27-/m00/s1
InChIKeyGXNQFOPYCCFWCN-YLQTWNDYSA-N
XLogP13.20
TPSA213.96 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.37
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide (CID 158395871) is 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide is COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(Cl)cc2O[C@H]2CC[C@H](c3cccc(C(F)(F)F)c3)C[C@@H]2N(C)C)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cnc(O[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C)cc2Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The InChIKey is GXNQFOPYCCFWCN-YLQTWNDYSA-N. The full InChI is InChI=1S/2C33H35ClF3N5O5S/c1-41(2)27-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-28(27)47-32-17-26(34)30(18-39-32)48(43,44)42(31-12-13-38-20-40-31)19-23-8-10-25(45-3)16-29(23)46-4;1-41(2)26-15-22(21-6-5-7-24(14-21)33(35,36)37)9-11-27(26)47-29-17-31(34)39-18-30(29)48(43,44)42(32-12-13-38-20-40-32)19-23-8-10-25(45-3)16-28(23)46-4/h5-8,10,12-14,16-18,20,22,27-28H,9,11,15,19H2,1-4H3;5-8,10,12-14,16-18,20,22,26-27H,9,11,15,19H2,1-4H3/t22-,27-,28-;22-,26-,27-/m00/s1.
What are the key properties of 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide?
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide has a molecular weight of 1412.37 g/mol, XLogP of 13.20, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-6-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide;6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 158395871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).