N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate

C123H120F9N17O15S4 — CID 158712446

About N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate (PubChem CID 158712446) has the molecular formula C123H120F9N17O15S4 and a molecular weight of 2375.67 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
• PubChem CID: 158712446
• Molecular Formula: C123H120F9N17O15S4
• Molecular Weight: 2375.67 g/mol
• Exact Mass: 2373.79
• IUPAC Name: N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)n1c(-c2ccc(NS(=O)(=O)C3(C)CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3C3CCC3)cc2)CC1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3C(C)C)cc2)CC1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3CC3CC3)cc2)CC1
• InChI: InChI=1S/C27H24FN5O3.C25H25F2N3O3S.C24H23F2N3O3S.C24H25F2N3O3S.C23H23F2N3O3S/c1-16(2)35-27(34)32-23-10-7-17(13-22(23)28)25-21(15-29)20-9-8-19(36-26-30-11-4-12-31-26)14-24(20)33(25)18-5-3-6-18;1-2-25(11-12-25)34(31,32)29-18-7-5-17(6-8-18)23-21(14-28)20-10-9-19(33-24(26)27)13-22(20)30(23)15-16-3-4-16;1-24(11-12-24)33(30,31)28-16-7-5-15(6-8-16)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)29(22)17-3-2-4-17;1-4-24(11-12-24)33(30,31)28-17-7-5-16(6-8-17)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)29(22)15(2)3;1-14(2)28-20-12-17(31-22(24)25)8-9-18(20)19(13-26)21(28)15-4-6-16(7-5-15)27-32(29,30)23(3)10-11-23/h4,7-14,16,18H,3,5-6H2,1-2H3,(H,32,34);5-10,13,16,24,29H,2-4,11-12,15H2,1H3;5-10,13,17,23,28H,2-4,11-12H2,1H3;5-10,13,15,23,28H,4,11-12H2,1-3H3;4-9,12,14,22,27H,10-11H2,1-3H3
• InChIKey: IIWZMSWLUIRDPH-UHFFFAOYSA-N
• XLogP: 29.96
• TPSA: 438.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2375.67
LogP ≤ 5	29.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?

The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate (CID 158712446) is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate.

What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?

The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)n1c(-c2ccc(NS(=O)(=O)C3(C)CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3C3CCC3)cc2)CC1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3C(C)C)cc2)CC1.CCC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3CC3CC3)cc2)CC1.

What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?

The InChIKey is IIWZMSWLUIRDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3.C25H25F2N3O3S.C24H23F2N3O3S.C24H25F2N3O3S.C23H23F2N3O3S/c1-16(2)35-27(34)32-23-10-7-17(13-22(23)28)25-21(15-29)20-9-8-19(36-26-30-11-4-12-31-26)14-24(20)33(25)18-5-3-6-18;1-2-25(11-12-25)34(31,32)29-18-7-5-17(6-8-18)23-21(14-28)20-10-9-19(33-24(26)27)13-22(20)30(23)15-16-3-4-16;1-24(11-12-24)33(30,31)28-16-7-5-15(6-8-16)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)29(22)17-3-2-4-17;1-4-24(11-12-24)33(30,31)28-17-7-5-16(6-8-17)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)29(22)15(2)3;1-14(2)28-20-12-17(31-22(24)25)8-9-18(20)19(13-26)21(28)15-4-6-16(7-5-15)27-32(29,30)23(3)10-11-23/h4,7-14,16,18H,3,5-6H2,1-2H3,(H,32,34);5-10,13,16,24,29H,2-4,11-12,15H2,1H3;5-10,13,17,23,28H,2-4,11-12H2,1H3;5-10,13,15,23,28H,4,11-12H2,1-3H3;4-9,12,14,22,27H,10-11H2,1-3H3.

What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate?

N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate has a molecular weight of 2375.67 g/mol, XLogP of 29.96, 37 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 158712446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).