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

C26H30FN3O3S — CID 139417771

IUPACN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C26H30FN3O3S/c1-29-17-22(18-12-14-30(15-13-18)26(31)19-6-2-3-7-19)21-16-20(10-11-24(21)29)28-34(32,33)25-9-5-4-8-23(25)27/h4-5,8-11,16-19,28H,2-3,6-7,12-15H2,1H3
InChIKeySULWDLLVDPQPFQ-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.01
Rot. Bonds5

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

N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide (PubChem CID 139417771) has the molecular formula C26H30FN3O3S and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide
PubChem CID139417771
Molecular FormulaC26H30FN3O3S
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C26H30FN3O3S/c1-29-17-22(18-12-14-30(15-13-18)26(31)19-6-2-3-7-19)21-16-20(10-11-24(21)29)28-34(32,33)25-9-5-4-8-23(25)27/h4-5,8-11,16-19,28H,2-3,6-7,12-15H2,1H3
InChIKeySULWDLLVDPQPFQ-UHFFFAOYSA-N
XLogP5.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.01
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
Oxsi-2
CID 6419747
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
N-(9-Methanesulfonyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 11111992
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
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
2-(4-Fluorophenyl)-N-(3-Piperidin-4-Yl-1h-Indol-5-Yl)ethanamide
CID 75277373
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide (CID 139417771) is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide is Cn1cc(C2CCN(C(=O)C3CCCC3)CC2)c2cc(NS(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide?
The InChIKey is SULWDLLVDPQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S/c1-29-17-22(18-12-14-30(15-13-18)26(31)19-6-2-3-7-19)21-16-20(10-11-24(21)29)28-34(32,33)25-9-5-4-8-23(25)27/h4-5,8-11,16-19,28H,2-3,6-7,12-15H2,1H3.
What are the key properties of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide?
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide has a molecular weight of 483.61 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 139417771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).