3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide

C24H23FN4O3S2 — CID 163416294

IUPAC3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide
SMILESCc1nnc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(S(=O)(=O)NC4CCCC4C)cc32)s1
InChIInChI=1S/C24H23FN4O3S2/c1-14-4-3-5-21(14)28-34(31,32)18-10-11-19-20(23(30)16-6-8-17(25)9-7-16)13-29(22(19)12-18)24-27-26-15(2)33-24/h6-14,21,28H,3-5H2,1-2H3
InChIKeyAERZESFMHGOQOH-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.63
Rot. Bonds6

About 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide

3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide (PubChem CID 163416294) has the molecular formula C24H23FN4O3S2 and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide
PubChem CID163416294
Molecular FormulaC24H23FN4O3S2
Molecular Weight498.61 g/mol
Exact Mass498.12
IUPAC Name3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide
SMILESCc1nnc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(S(=O)(=O)NC4CCCC4C)cc32)s1
InChIInChI=1S/C24H23FN4O3S2/c1-14-4-3-5-21(14)28-34(31,32)18-10-11-19-20(23(30)16-6-8-17(25)9-7-16)13-29(22(19)12-18)24-27-26-15(2)33-24/h6-14,21,28H,3-5H2,1-2H3
InChIKeyAERZESFMHGOQOH-UHFFFAOYSA-N
XLogP4.63
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide
CID 121415885
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 4190481

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide?
The IUPAC name of 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide (CID 163416294) is 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide is Cc1nnc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(S(=O)(=O)NC4CCCC4C)cc32)s1.
What is the InChIKey of 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide?
The InChIKey is AERZESFMHGOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S2/c1-14-4-3-5-21(14)28-34(31,32)18-10-11-19-20(23(30)16-6-8-17(25)9-7-16)13-29(22(19)12-18)24-27-26-15(2)33-24/h6-14,21,28H,3-5H2,1-2H3.
What are the key properties of 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide?
3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-N-(2-methylcyclopentyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)indole-6-sulfonamide is sourced from PubChem (CID 163416294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).