1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C22H26FN3O5S2 — CID 133168267

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O5S2/c1-24(2)32(28,29)20-9-10-21-16(14-20)11-13-26(21)22(27)17-4-3-12-25(15-17)33(30,31)19-7-5-18(23)6-8-19/h5-10,14,17H,3-4,11-13,15H2,1-2H3
InChIKeyDCORULOKZJVGBJ-UHFFFAOYSA-N
MW495.60 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 133168267) has the molecular formula C22H26FN3O5S2 and a molecular weight of 495.60 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID133168267
Molecular FormulaC22H26FN3O5S2
Molecular Weight495.60 g/mol
Exact Mass495.13
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN3O5S2/c1-24(2)32(28,29)20-9-10-21-16(14-20)11-13-26(21)22(27)17-4-3-12-25(15-17)33(30,31)19-7-5-18(23)6-8-19/h5-10,14,17H,3-4,11-13,15H2,1-2H3
InChIKeyDCORULOKZJVGBJ-UHFFFAOYSA-N
XLogP2.07
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
(5-methyl-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166197392
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
2,3-dihydro-1,4-benzoxazin-4-yl-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100800305
N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55984969
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone
CID 27693344

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 133168267) is 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DCORULOKZJVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S2/c1-24(2)32(28,29)20-9-10-21-16(14-20)11-13-26(21)22(27)17-4-3-12-25(15-17)33(30,31)19-7-5-18(23)6-8-19/h5-10,14,17H,3-4,11-13,15H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 495.60 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 133168267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).