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

C22H27N3O5S2 — CID 26769945

IUPAC1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O5S2/c1-23(2)31(27,28)20-8-9-21-18(16-20)12-15-25(21)22(26)17-10-13-24(14-11-17)32(29,30)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3
InChIKeyBARCMPQTQPPOGL-UHFFFAOYSA-N
MW477.61 g/mol
LogP1.93
Rot. Bonds5

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

1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769945) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26769945
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC Name1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O5S2/c1-23(2)31(27,28)20-8-9-21-18(16-20)12-15-25(21)22(26)17-10-13-24(14-11-17)32(29,30)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3
InChIKeyBARCMPQTQPPOGL-UHFFFAOYSA-N
XLogP1.93
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 133168267
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43886859
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799
[5-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 92853787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 26769945) is 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BARCMPQTQPPOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-23(2)31(27,28)20-8-9-21-18(16-20)12-15-25(21)22(26)17-10-13-24(14-11-17)32(29,30)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 477.61 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).