(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine

C111H123Cl4F10N17O11S4 — CID 159824051

IUPAC(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C3COC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC3CC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CNC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl
InChIInChI=1S/C28H30ClF4N5O2S.2C28H32ClFN4O3S.C27H29ClF4N4O3S/c1-38(21-13-35-14-21)26-10-18(17-3-2-4-19(9-17)28(31,32)33)5-6-24(26)37-25-12-23(30)27(11-22(25)29)41(39,40)15-20-7-8-34-16-36-20;1-34(2)27-13-19(18-4-3-5-22(12-18)37-21-7-8-21)6-9-25(27)33-26-15-24(30)28(14-23(26)29)38(35,36)16-20-10-11-31-17-32-20;1-34(2)27-11-20(18-4-3-5-19(10-18)21-14-37-15-21)6-7-25(27)33-26-13-24(30)28(12-23(26)29)38(35,36)16-22-8-9-31-17-32-22;1-36(9-10-37)25-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-23(25)35-24-14-22(29)26(13-21(24)28)40(38,39)15-20-7-8-33-16-34-20/h2-4,7-9,11-12,16,18,21,24,26,35,37H,5-6,10,13-15H2,1H3;3-5,10-12,14-15,17,19,21,25,27,33H,6-9,13,16H2,1-2H3;3-5,8-10,12-13,17,20-21,25,27,33H,6-7,11,14-16H2,1-2H3;2-4,7-8,11,13-14,16,18,23,25,35,37H,5-6,9-10,12,15H2,1H3/t18-,24-,26-;19-,25-,27-;20-,25-,27-;18-,23-,25-/m0000/s1
InChIKeyNMPHWVVRBKFMSE-OWCDBSSKSA-N
MW2331.37 g/mol
LogP21.08
Rot. Bonds34

About (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine

(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine (PubChem CID 159824051) has the molecular formula C111H123Cl4F10N17O11S4 and a molecular weight of 2331.37 g/mol. Its IUPAC name is (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine
PubChem CID159824051
Molecular FormulaC111H123Cl4F10N17O11S4
Molecular Weight2331.37 g/mol
Exact Mass2327.71
IUPAC Name(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C3COC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC3CC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CNC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl
InChIInChI=1S/C28H30ClF4N5O2S.2C28H32ClFN4O3S.C27H29ClF4N4O3S/c1-38(21-13-35-14-21)26-10-18(17-3-2-4-19(9-17)28(31,32)33)5-6-24(26)37-25-12-23(30)27(11-22(25)29)41(39,40)15-20-7-8-34-16-36-20;1-34(2)27-13-19(18-4-3-5-22(12-18)37-21-7-8-21)6-9-25(27)33-26-15-24(30)28(14-23(26)29)38(35,36)16-20-10-11-31-17-32-20;1-34(2)27-11-20(18-4-3-5-19(10-18)21-14-37-15-21)6-7-25(27)33-26-13-24(30)28(12-23(26)29)38(35,36)16-22-8-9-31-17-32-22;1-36(9-10-37)25-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-23(25)35-24-14-22(29)26(13-21(24)28)40(38,39)15-20-7-8-33-16-34-20/h2-4,7-9,11-12,16,18,21,24,26,35,37H,5-6,10,13-15H2,1H3;3-5,10-12,14-15,17,19,21,25,27,33H,6-9,13,16H2,1-2H3;3-5,8-10,12-13,17,20-21,25,27,33H,6-7,11,14-16H2,1-2H3;2-4,7-8,11,13-14,16,18,23,25,35,37H,5-6,9-10,12,15H2,1H3/t18-,24-,26-;19-,25-,27-;20-,25-,27-;18-,23-,25-/m0000/s1
InChIKeyNMPHWVVRBKFMSE-OWCDBSSKSA-N
XLogP21.08
TPSA351.48 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.37
LogP ≤ 521.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine?
The IUPAC name of (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine (CID 159824051) is (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine.
What is the SMILES notation for (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine?
The canonical SMILES for (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine is CN(C)[C@H]1C[C@@H](c2cccc(C3COC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(OC3CC3)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(C1CNC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.CN(CCO)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Cc2ccncn2)cc1Cl.
What is the InChIKey of (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine?
The InChIKey is NMPHWVVRBKFMSE-OWCDBSSKSA-N. The full InChI is InChI=1S/C28H30ClF4N5O2S.2C28H32ClFN4O3S.C27H29ClF4N4O3S/c1-38(21-13-35-14-21)26-10-18(17-3-2-4-19(9-17)28(31,32)33)5-6-24(26)37-25-12-23(30)27(11-22(25)29)41(39,40)15-20-7-8-34-16-36-20;1-34(2)27-13-19(18-4-3-5-22(12-18)37-21-7-8-21)6-9-25(27)33-26-15-24(30)28(14-23(26)29)38(35,36)16-20-10-11-31-17-32-20;1-34(2)27-11-20(18-4-3-5-19(10-18)21-14-37-15-21)6-7-25(27)33-26-13-24(30)28(12-23(26)29)38(35,36)16-22-8-9-31-17-32-22;1-36(9-10-37)25-12-18(17-3-2-4-19(11-17)27(30,31)32)5-6-23(25)35-24-14-22(29)26(13-21(24)28)40(38,39)15-20-7-8-33-16-34-20/h2-4,7-9,11-12,16,18,21,24,26,35,37H,5-6,10,13-15H2,1H3;3-5,10-12,14-15,17,19,21,25,27,33H,6-9,13,16H2,1-2H3;3-5,8-10,12-13,17,20-21,25,27,33H,6-7,11,14-16H2,1-2H3;2-4,7-8,11,13-14,16,18,23,25,35,37H,5-6,9-10,12,15H2,1H3/t18-,24-,26-;19-,25-,27-;20-,25-,27-;18-,23-,25-/m0000/s1.
What are the key properties of (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine?
(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine has a molecular weight of 2331.37 g/mol, XLogP of 21.08, 34 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N-methyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;2-[[(1S,2S,5S)-2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]ethanol;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-4-(3-cyclopropyloxyphenyl)-2-N,2-N-dimethylcyclohexane-1,2-diamine;(1S,2S,4S)-1-N-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-[3-(oxetan-3-yl)phenyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 159824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).