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

C23H27Cl2N3O5S2 — CID 43886859

IUPAC1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H27Cl2N3O5S2/c1-26(2)35(32,33)20-5-6-22-17(13-20)9-12-28(22)23(29)16-7-10-27(11-8-16)34(30,31)15-18-3-4-19(24)14-21(18)25/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyOSHIATFOMUHAPN-UHFFFAOYSA-N
MW560.53 g/mol
LogP3.37
Rot. Bonds6

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

1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43886859) has the molecular formula C23H27Cl2N3O5S2 and a molecular weight of 560.53 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43886859
Molecular FormulaC23H27Cl2N3O5S2
Molecular Weight560.53 g/mol
Exact Mass559.08
IUPAC Name1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H27Cl2N3O5S2/c1-26(2)35(32,33)20-5-6-22-17(13-20)9-12-28(22)23(29)16-7-10-27(11-8-16)34(30,31)15-18-3-4-19(24)14-21(18)25/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyOSHIATFOMUHAPN-UHFFFAOYSA-N
XLogP3.37
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
1-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43934711
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 92679158
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769570
N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 92646503
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 133168267
1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43886859) is 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]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)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OSHIATFOMUHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O5S2/c1-26(2)35(32,33)20-5-6-22-17(13-20)9-12-28(22)23(29)16-7-10-27(11-8-16)34(30,31)15-18-3-4-19(24)14-21(18)25/h3-6,13-14,16H,7-12,15H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 560.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43886859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).