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

C26H32FN3O3S — CID 122443217

IUPACN-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1(C)C
InChIInChI=1S/C26H32FN3O3S/c1-17(2)25(31)30-13-12-18(15-26(30,3)4)23-16-29(5)24-11-8-20(14-22(23)24)28-34(32,33)21-9-6-19(27)7-10-21/h6-11,14,16-18,28H,12-13,15H2,1-5H3/t18-/m1/s1
InChIKeyXRFOZCPJFWHAOT-GOSISDBHSA-N
MW485.63 g/mol
LogP5.26
Rot. Bonds5

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

N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122443217) has the molecular formula C26H32FN3O3S and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122443217
Molecular FormulaC26H32FN3O3S
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC NameN-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1(C)C
InChIInChI=1S/C26H32FN3O3S/c1-17(2)25(31)30-13-12-18(15-26(30,3)4)23-16-29(5)24-11-8-20(14-22(23)24)28-34(32,33)21-9-6-19(27)7-10-21/h6-11,14,16-18,28H,12-13,15H2,1-5H3/t18-/m1/s1
InChIKeyXRFOZCPJFWHAOT-GOSISDBHSA-N
XLogP5.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
CID 122179029
AS-99 free base
CID 138630366

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide (CID 122443217) is N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1(C)C.
What is the InChIKey of N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is XRFOZCPJFWHAOT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32FN3O3S/c1-17(2)25(31)30-13-12-18(15-26(30,3)4)23-16-29(5)24-11-8-20(14-22(23)24)28-34(32,33)21-9-6-19(27)7-10-21/h6-11,14,16-18,28H,12-13,15H2,1-5H3/t18-/m1/s1.
What are the key properties of N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 485.63 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-2,2-dimethyl-1-(2-methylpropanoyl)piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122443217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).