N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

C119H107F7N14O8S — CID 158767835

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C18H17FN2O.4C17H15FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;2*1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-11(12-6-3-2-4-7-12)19-17(21)15-10-13-8-5-9-14(18)16(13)20-15;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);4*2-11,20H,1H3,(H,19,21);1-9,17-18H,10H2/t2*12-;4*11-;/m001010./s1
InChIKeyIPMDFNQWQVSANH-XGQSWNMTSA-N
MW2026.31 g/mol
LogP26.22
Rot. Bonds22

About N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 158767835) has the molecular formula C119H107F7N14O8S and a molecular weight of 2026.31 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID158767835
Molecular FormulaC119H107F7N14O8S
Molecular Weight2026.31 g/mol
Exact Mass2024.80
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C18H17FN2O.4C17H15FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;2*1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-11(12-6-3-2-4-7-12)19-17(21)15-10-13-8-5-9-14(18)16(13)20-15;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);4*2-11,20H,1H3,(H,19,21);1-9,17-18H,10H2/t2*12-;4*11-;/m001010./s1
InChIKeyIPMDFNQWQVSANH-XGQSWNMTSA-N
XLogP26.22
TPSA322.51 Ų
H-Bond Donors13
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.31
LogP ≤ 526.22
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(2S)-1-methylpyrrolidin-2-yl]methylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156014430
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(2R)-1-methylpyrrolidin-2-yl]methylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156019724
5-[[(2S,3R)-1-[4-[(1S)-1-amino-2-fluoroethyl]cyclohexanecarbonyl]-3-phenylpyrrolidine-2-carbonyl]amino]-N-(benzenesulfonyl)-1H-indole-2-carboxamide
CID 138805924
(2S)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(2R,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 139403588
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R,4S)-2-[[2-[3-[[(2R,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 139403589
N-[1-cyclohexyl-2-[2-[[2-[3-[[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 139403591
N-[1-[2-[[2-[3-[[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 139403594
1-(benzenesulfonyl)-2-methylindole-5-carbaldehyde;1-(benzenesulfonyl)-2-methylindole-5-carbonitrile;(S)-N-[[1-(benzenesulfonyl)-2-methylindol-5-yl]methylidene]-2-methylpropane-2-sulfinamide;(S)-N-[(1S)-1-[1-(benzenesulfonyl)-2-methylindol-5-yl]-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide;(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methyl-1H-indol-5-yl)ethyl]propane-2-sulfinamide;sulfane;(1S)-2,2,2-trifluoro-1-(2-methyl-1H-indol-5-yl)ethanamine
CID 159460951
CID 161863052
CID 161863052
N-[4-(3,5-difluoroanilino)sulfanylphenyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(3,5-difluorophenyl)-4-(methylamino)benzenesulfonamide;4-fluoro-1H-indole-2-carbaldehyde
CID 168200002
N-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-5-[3-[[4-(1H-indole-2-carbonylamino)phenyl]sulfonylamino]phenyl]-1H-indole-2-carboxamide
CID 168200008
5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161372465

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (CID 158767835) is N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is IPMDFNQWQVSANH-XGQSWNMTSA-N. The full InChI is InChI=1S/2C18H17FN2O.4C17H15FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;2*1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-11(12-6-3-2-4-7-12)19-17(21)15-10-13-8-5-9-14(18)16(13)20-15;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);4*2-11,20H,1H3,(H,19,21);1-9,17-18H,10H2/t2*12-;4*11-;/m001010./s1.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 2026.31 g/mol, XLogP of 26.22, 22 rotatable bonds, 13 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158767835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).