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

C28H34FN3O3S — CID 122443189

IUPACN-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C28H34FN3O3S/c1-28(2)17-20(14-15-32(28)27(33)19-6-4-5-7-19)25-18-31(3)26-13-10-22(16-24(25)26)30-36(34,35)23-11-8-21(29)9-12-23/h8-13,16,18-20,30H,4-7,14-15,17H2,1-3H3
InChIKeyPPOCSYDWYNGNDJ-UHFFFAOYSA-N
MW511.66 g/mol
LogP5.79
Rot. Bonds5

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

N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122443189) has the molecular formula C28H34FN3O3S and a molecular weight of 511.66 g/mol. Its IUPAC name is N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122443189
Molecular FormulaC28H34FN3O3S
Molecular Weight511.66 g/mol
Exact Mass511.23
IUPAC NameN-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCn1cc(C2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C28H34FN3O3S/c1-28(2)17-20(14-15-32(28)27(33)19-6-4-5-7-19)25-18-31(3)26-13-10-22(16-24(25)26)30-36(34,35)23-11-8-21(29)9-12-23/h8-13,16,18-20,30H,4-7,14-15,17H2,1-3H3
InChIKeyPPOCSYDWYNGNDJ-UHFFFAOYSA-N
XLogP5.79
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443179
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
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
cyclopentyl-[4-[1-methyl-5-(phenylsulfanylamino)indol-3-yl]piperidin-1-yl]methanone
CID 135234993
N-[3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]formamide
CID 135235029
cyclopentyl-[4-[1,4-dimethyl-5-(methylamino)pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpiperidin-1-yl]methanone
CID 170605281
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
cyclopentyl-[4-[5-(cyclopropylsulfonylmethyl)-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 149156429
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
1-(2-cyanoethyl)-3-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]-1-methylurea
CID 118865713

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (CID 122443189) is N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is Cn1cc(C2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is PPOCSYDWYNGNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3S/c1-28(2)17-20(14-15-32(28)27(33)19-6-4-5-7-19)25-18-31(3)26-13-10-22(16-24(25)26)30-36(34,35)23-11-8-21(29)9-12-23/h8-13,16,18-20,30H,4-7,14-15,17H2,1-3H3.
What are the key properties of N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-[1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 511.66 g/mol, XLogP of 5.79, 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)-2,2-dimethylpiperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122443189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).