N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide

C28H34FN3O3S — CID 122443179

IUPACN-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C1CCCC1
InChIInChI=1S/C28H34FN3O3S/c1-19(20-5-3-4-6-20)28(33)32-15-13-21(14-16-32)26-18-31(2)27-12-9-23(17-25(26)27)30-36(34,35)24-10-7-22(29)8-11-24/h7-12,17-21,30H,3-6,13-16H2,1-2H3/t19-/m1/s1
InChIKeyOLSBNAMMMCLIFR-LJQANCHMSA-N
MW511.66 g/mol
LogP5.65
Rot. Bonds6

About N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide

N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122443179) has the molecular formula C28H34FN3O3S and a molecular weight of 511.66 g/mol. Its IUPAC name is N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122443179
Molecular FormulaC28H34FN3O3S
Molecular Weight511.66 g/mol
Exact Mass511.23
IUPAC NameN-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C1CCCC1
InChIInChI=1S/C28H34FN3O3S/c1-19(20-5-3-4-6-20)28(33)32-15-13-21(14-16-32)26-18-31(2)27-12-9-23(17-25(26)27)30-36(34,35)24-10-7-22(29)8-11-24/h7-12,17-21,30H,3-6,13-16H2,1-2H3/t19-/m1/s1
InChIKeyOLSBNAMMMCLIFR-LJQANCHMSA-N
XLogP5.65
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide 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-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443189
4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-[(2R)-2,3,3-trimethylbutanoyl]piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 122443233
N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole
CID 160502368
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
CID 135235029
[4-[5-(benzenesulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]-cyclopentylmethanone
CID 149106216
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
CID 138668859

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (CID 122443179) is N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is C[C@@H](C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1)C1CCCC1.
What is the InChIKey of N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is OLSBNAMMMCLIFR-LJQANCHMSA-N. The full InChI is InChI=1S/C28H34FN3O3S/c1-19(20-5-3-4-6-20)28(33)32-15-13-21(14-16-32)26-18-31(2)27-12-9-23(17-25(26)27)30-36(34,35)24-10-7-22(29)8-11-24/h7-12,17-21,30H,3-6,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 511.66 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122443179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).