2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide

C57H46Cl2F3N15O9S6 — CID 158095195

IUPAC2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Cn1ccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1
InChIInChI=1S/C20H16F3N5O3S2.C19H16ClN5O3S2.C18H14ClN5O3S2/c21-20(22,23)14-2-1-13-7-9-28(17(13)11-14)10-8-18(29)26-15-3-5-16(6-4-15)33(30,31)27-19-24-12-25-32-19;20-14-1-6-17-13(11-14)7-9-25(17)10-8-18(26)23-15-2-4-16(5-3-15)30(27,28)24-19-21-12-22-29-19;19-15-3-1-2-12-8-9-24(17(12)15)10-16(25)22-13-4-6-14(7-5-13)29(26,27)23-18-20-11-21-28-18/h1-7,9,11-12H,8,10H2,(H,26,29)(H,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);1-9,11H,10H2,(H,22,25)(H,20,21,23)
InChIKeyFOORVOVPLHGDQL-UHFFFAOYSA-N
MW1405.39 g/mol
LogP11.90
Rot. Bonds20

About 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide

2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide (PubChem CID 158095195) has the molecular formula C57H46Cl2F3N15O9S6 and a molecular weight of 1405.39 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
PubChem CID158095195
Molecular FormulaC57H46Cl2F3N15O9S6
Molecular Weight1405.39 g/mol
Exact Mass1403.13
IUPAC Name2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Cn1ccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1
InChIInChI=1S/C20H16F3N5O3S2.C19H16ClN5O3S2.C18H14ClN5O3S2/c21-20(22,23)14-2-1-13-7-9-28(17(13)11-14)10-8-18(29)26-15-3-5-16(6-4-15)33(30,31)27-19-24-12-25-32-19;20-14-1-6-17-13(11-14)7-9-25(17)10-8-18(26)23-15-2-4-16(5-3-15)30(27,28)24-19-21-12-22-29-19;19-15-3-1-2-12-8-9-24(17(12)15)10-16(25)22-13-4-6-14(7-5-13)29(26,27)23-18-20-11-21-28-18/h1-7,9,11-12H,8,10H2,(H,26,29)(H,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);1-9,11H,10H2,(H,22,25)(H,20,21,23)
InChIKeyFOORVOVPLHGDQL-UHFFFAOYSA-N
XLogP11.90
TPSA317.94 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001405.39
LogP ≤ 511.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-(2-indol-1-ylpropanoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157394654
3-(4-chloroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 157709136
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 158535217
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(7-chloroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;3-(2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;2-(5-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 158608402
3-(6-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;3-(2,3-dihydroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide;1-quinolin-6-yl-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea;N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 158900036
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-7-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-(2-indol-1-ylpropanoyl)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159592349
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3-thiazol-2-yl)-4-[4-[(2S)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 160447019
4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
CID 160885824
3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;3-(4-fluoroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide
CID 161705699
4-[(3S)-4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 157059578
4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-(3-methylpiperazin-1-yl)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 157059579
4-[3-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[3-(5-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-(7-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[4-[(2S)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
CID 157175880

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The IUPAC name of 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide (CID 158095195) is 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide is O=C(CCn1ccc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(CCn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.O=C(Cn1ccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
The InChIKey is FOORVOVPLHGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S2.C19H16ClN5O3S2.C18H14ClN5O3S2/c21-20(22,23)14-2-1-13-7-9-28(17(13)11-14)10-8-18(29)26-15-3-5-16(6-4-15)33(30,31)27-19-24-12-25-32-19;20-14-1-6-17-13(11-14)7-9-25(17)10-8-18(26)23-15-2-4-16(5-3-15)30(27,28)24-19-21-12-22-29-19;19-15-3-1-2-12-8-9-24(17(12)15)10-16(25)22-13-4-6-14(7-5-13)29(26,27)23-18-20-11-21-28-18/h1-7,9,11-12H,8,10H2,(H,26,29)(H,24,25,27);1-7,9,11-12H,8,10H2,(H,23,26)(H,21,22,24);1-9,11H,10H2,(H,22,25)(H,20,21,23).
What are the key properties of 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide?
2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide has a molecular weight of 1405.39 g/mol, XLogP of 11.90, 20 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]acetamide;3-(5-chloroindol-1-yl)-N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]propanamide;N-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-3-[6-(trifluoromethyl)indol-1-yl]propanamide is sourced from PubChem (CID 158095195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).