N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

C105H93F16N15O15S2 — CID 159550884

IUPACN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C22H22F3N3O3S.C21H17F4N3O3.C21H20F3N3O3S.C21H18F3N3O3.C20H16F3N3O3/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2/h6-11,13,27H,3-5,12H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,27,29);5-11,13,26H,4H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyMFJKCXCTVWDUAA-UHFFFAOYSA-N
MW2173.09 g/mol
LogP27.45
Rot. Bonds29

About N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 159550884) has the molecular formula C105H93F16N15O15S2 and a molecular weight of 2173.09 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
PubChem CID159550884
Molecular FormulaC105H93F16N15O15S2
Molecular Weight2173.09 g/mol
Exact Mass2171.62
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C22H22F3N3O3S.C21H17F4N3O3.C21H20F3N3O3S.C21H18F3N3O3.C20H16F3N3O3/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2/h6-11,13,27H,3-5,12H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,27,29);5-11,13,26H,4H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyMFJKCXCTVWDUAA-UHFFFAOYSA-N
XLogP27.45
TPSA397.08 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002173.09
LogP ≤ 527.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile
CID 157091991
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157121571
CID 157133551
CID 157133551
2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157172112
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
CID 157180715
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157247576
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157269929
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate
CID 157327365
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 157382502
2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;N-[4-(4-chloro-3-cyano-1-ethylindol-2-yl)phenyl]ethanesulfonamide;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 157427764
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157429215
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 157618580

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (CID 159550884) is N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is CCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is MFJKCXCTVWDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3S.C21H17F4N3O3.C21H20F3N3O3S.C21H18F3N3O3.C20H16F3N3O3/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2/h6-11,13,27H,3-5,12H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,27,29);5-11,13,26H,4H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2173.09 g/mol, XLogP of 27.45, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159550884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).