2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide

C14H19ClN2O3S — CID 71984455

IUPAC2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3S/c1-3-16(4-2)21(19,20)10-14(18)17-8-7-11-5-6-12(15)9-13(11)17/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyBGFOOMYGSRBFSN-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.90
Rot. Bonds5

About 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide

2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide (PubChem CID 71984455) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide
PubChem CID71984455
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3S/c1-3-16(4-2)21(19,20)10-14(18)17-8-7-11-5-6-12(15)9-13(11)17/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyBGFOOMYGSRBFSN-UHFFFAOYSA-N
XLogP1.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide?
The IUPAC name of 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide (CID 71984455) is 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide is CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide?
The InChIKey is BGFOOMYGSRBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-3-16(4-2)21(19,20)10-14(18)17-8-7-11-5-6-12(15)9-13(11)17/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide?
2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydroindol-1-yl)-N,N-diethyl-2-oxoethanesulfonamide is sourced from PubChem (CID 71984455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).