2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C120H184F8N18O18S6 — CID 158181622

IUPAC2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N3CCCC3)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C21H31F2N3O3S.2C21H32FN3O3S.C19H29F2N3O3S.2C19H30FN3O3S/c1-14(2)30(28,29)25-16-7-5-15(6-8-16)13-24-17-11-18(22)20(19(23)12-17)21(27)26-9-3-4-10-26;1-15(2)29(27,28)24-17-7-5-16(6-8-17)14-23-18-9-10-20(22)19(13-18)21(26)25-11-3-4-12-25;1-15(2)29(27,28)24-19-7-5-16(6-8-19)14-23-20-12-17(11-18(22)13-20)21(26)25-9-3-4-10-25;1-12(2)28(26,27)23-14-7-5-13(6-8-14)11-22-15-9-16(20)18(17(21)10-15)19(25)24(3)4;1-13(2)27(25,26)22-17-7-5-14(6-8-17)12-21-18-10-15(9-16(20)11-18)19(24)23(3)4;1-13(2)27(25,26)22-15-7-5-14(6-8-15)12-21-16-9-10-18(20)17(11-16)19(24)23(3)4/h11-12,14-16,24-25H,3-10,13H2,1-2H3;9-10,13,15-17,23-24H,3-8,11-12,14H2,1-2H3;11-13,15-16,19,23-24H,3-10,14H2,1-2H3;9-10,12-14,22-23H,5-8,11H2,1-4H3;9-11,13-14,17,21-22H,5-8,12H2,1-4H3;9-11,13-15,21-22H,5-8,12H2,1-4H3
InChIKeyFYQVUDUAFLUVJI-UHFFFAOYSA-N
MW2511.29 g/mol
LogP18.84
Rot. Bonds42

About 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 158181622) has the molecular formula C120H184F8N18O18S6 and a molecular weight of 2511.29 g/mol. Its IUPAC name is 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID158181622
Molecular FormulaC120H184F8N18O18S6
Molecular Weight2511.29 g/mol
Exact Mass2509.22
IUPAC Name2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N3CCCC3)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C21H31F2N3O3S.2C21H32FN3O3S.C19H29F2N3O3S.2C19H30FN3O3S/c1-14(2)30(28,29)25-16-7-5-15(6-8-16)13-24-17-11-18(22)20(19(23)12-17)21(27)26-9-3-4-10-26;1-15(2)29(27,28)24-17-7-5-16(6-8-17)14-23-18-9-10-20(22)19(13-18)21(26)25-11-3-4-12-25;1-15(2)29(27,28)24-19-7-5-16(6-8-19)14-23-20-12-17(11-18(22)13-20)21(26)25-9-3-4-10-25;1-12(2)28(26,27)23-14-7-5-13(6-8-14)11-22-15-9-16(20)18(17(21)10-15)19(25)24(3)4;1-13(2)27(25,26)22-17-7-5-14(6-8-17)12-21-18-10-15(9-16(20)11-18)19(24)23(3)4;1-13(2)27(25,26)22-15-7-5-14(6-8-15)12-21-16-9-10-18(20)17(11-16)19(24)23(3)4/h11-12,14-16,24-25H,3-10,13H2,1-2H3;9-10,13,15-17,23-24H,3-8,11-12,14H2,1-2H3;11-13,15-16,19,23-24H,3-10,14H2,1-2H3;9-10,12-14,22-23H,5-8,11H2,1-4H3;9-11,13-14,17,21-22H,5-8,12H2,1-4H3;9-11,13-15,21-22H,5-8,12H2,1-4H3
InChIKeyFYQVUDUAFLUVJI-UHFFFAOYSA-N
XLogP18.84
TPSA471.06 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002511.29
LogP ≤ 518.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 158181622) is 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N(C)C)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)c(C(=O)N3CCCC3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(C(=O)N3CCCC3)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N(C)C)c2)CC1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is FYQVUDUAFLUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O3S.2C21H32FN3O3S.C19H29F2N3O3S.2C19H30FN3O3S/c1-14(2)30(28,29)25-16-7-5-15(6-8-16)13-24-17-11-18(22)20(19(23)12-17)21(27)26-9-3-4-10-26;1-15(2)29(27,28)24-17-7-5-16(6-8-17)14-23-18-9-10-20(22)19(13-18)21(26)25-11-3-4-12-25;1-15(2)29(27,28)24-19-7-5-16(6-8-19)14-23-20-12-17(11-18(22)13-20)21(26)25-9-3-4-10-25;1-12(2)28(26,27)23-14-7-5-13(6-8-14)11-22-15-9-16(20)18(17(21)10-15)19(25)24(3)4;1-13(2)27(25,26)22-17-7-5-14(6-8-17)12-21-18-10-15(9-16(20)11-18)19(24)23(3)4;1-13(2)27(25,26)22-15-7-5-14(6-8-15)12-21-16-9-10-18(20)17(11-16)19(24)23(3)4/h11-12,14-16,24-25H,3-10,13H2,1-2H3;9-10,13,15-17,23-24H,3-8,11-12,14H2,1-2H3;11-13,15-16,19,23-24H,3-10,14H2,1-2H3;9-10,12-14,22-23H,5-8,11H2,1-4H3;9-11,13-14,17,21-22H,5-8,12H2,1-4H3;9-11,13-15,21-22H,5-8,12H2,1-4H3.
What are the key properties of 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 2511.29 g/mol, XLogP of 18.84, 42 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,N-dimethyl-4-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;2-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;3-fluoro-N,N-dimethyl-5-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]benzamide;N-[4-[[3-fluoro-5-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 158181622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).