N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide

C26H32FN3O3S — CID 122443238

IUPACN-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)[C@H](C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C26H32FN3O3S/c1-17(2)18(3)26(31)30-13-11-19(12-14-30)24-16-29(4)25-10-7-21(15-23(24)25)28-34(32,33)22-8-5-20(27)6-9-22/h5-10,15-19,28H,11-14H2,1-4H3/t18-/m0/s1
InChIKeyOONBVMHCJRJLDR-SFHVURJKSA-N
MW485.63 g/mol
LogP5.12
Rot. Bonds6

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

N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122443238) has the molecular formula C26H32FN3O3S and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122443238
Molecular FormulaC26H32FN3O3S
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC NameN-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)[C@H](C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C26H32FN3O3S/c1-17(2)18(3)26(31)30-13-11-19(12-14-30)24-16-29(4)25-10-7-21(15-23(24)25)28-34(32,33)22-8-5-20(27)6-9-22/h5-10,15-19,28H,11-14H2,1-4H3/t18-/m0/s1
InChIKeyOONBVMHCJRJLDR-SFHVURJKSA-N
XLogP5.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide with MolForge

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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
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
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
Biphenyl-4-sulfonic acid [3-(2-dimethylamino-ethyl)-1H-indol-5-yl]-amide
CID 10112810
Biphenyl-4-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
CID 10182228
4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388943
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (CID 122443238) is N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is CC(C)[C@H](C)C(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is OONBVMHCJRJLDR-SFHVURJKSA-N. The full InChI is InChI=1S/C26H32FN3O3S/c1-17(2)18(3)26(31)30-13-11-19(12-14-30)24-16-29(4)25-10-7-21(15-23(24)25)28-34(32,33)22-8-5-20(27)6-9-22/h5-10,15-19,28H,11-14H2,1-4H3/t18-/m0/s1.
What are the key properties of N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 485.63 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2S)-2,3-dimethylbutanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122443238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).