N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide

C27H32FN3O3S — CID 122443183

IUPACN-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESC[C@H]1C[C@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CCN1C(=O)C1CCCC1
InChIInChI=1S/C27H32FN3O3S/c1-18-15-20(13-14-31(18)27(32)19-5-3-4-6-19)25-17-30(2)26-12-9-22(16-24(25)26)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,16-20,29H,3-6,13-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyRHMSENQWNDPSQM-AZUAARDMSA-N
MW497.64 g/mol
LogP5.40
Rot. Bonds5

About N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide

N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122443183) has the molecular formula C27H32FN3O3S and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122443183
Molecular FormulaC27H32FN3O3S
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC NameN-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESC[C@H]1C[C@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CCN1C(=O)C1CCCC1
InChIInChI=1S/C27H32FN3O3S/c1-18-15-20(13-14-31(18)27(32)19-5-3-4-6-19)25-17-30(2)26-12-9-22(16-24(25)26)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,16-20,29H,3-6,13-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyRHMSENQWNDPSQM-AZUAARDMSA-N
XLogP5.40
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
N-(9-Methanesulfonyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 11111992
N-(9-Methyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 10892838
N-(9-Ethyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 10969955
N-(9-Isopropyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 10926406
4-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11280663
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539
N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71462621
1-(3,4-Difluoro-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 10177537
3-[5-(4-Fluoro-benzenesulfonylamino)-3-pyridin-3-ylmethyl-indol-1-yl]-propionic acid
CID 10321666
Bes(4-F)-Val-Trp-al
CID 10917270

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (CID 122443183) is N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is C[C@H]1C[C@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CCN1C(=O)C1CCCC1.
What is the InChIKey of N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is RHMSENQWNDPSQM-AZUAARDMSA-N. The full InChI is InChI=1S/C27H32FN3O3S/c1-18-15-20(13-14-31(18)27(32)19-5-3-4-6-19)25-17-30(2)26-12-9-22(16-24(25)26)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,16-20,29H,3-6,13-15H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 497.64 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122443183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).