N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

C16H22N2O4S — CID 56805828

IUPACN,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CCCO1)CC2
InChIInChI=1S/C16H22N2O4S/c1-17(2)23(20,21)14-6-5-12-7-8-18(15(12)11-14)16(19)10-13-4-3-9-22-13/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyNTIPPIBZQTWATD-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.40
Rot. Bonds4

About N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 56805828) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID56805828
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CCCO1)CC2
InChIInChI=1S/C16H22N2O4S/c1-17(2)23(20,21)14-6-5-12-7-8-18(15(12)11-14)16(19)10-13-4-3-9-22-13/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyNTIPPIBZQTWATD-UHFFFAOYSA-N
XLogP1.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
CID 119939189
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120932755
N,N-dimethyl-1-(morpholine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785866
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167985111
1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 154797051
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86958748
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (CID 56805828) is N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CCCO1)CC2.
What is the InChIKey of N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is NTIPPIBZQTWATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-17(2)23(20,21)14-6-5-12-7-8-18(15(12)11-14)16(19)10-13-4-3-9-22-13/h5-6,11,13H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 56805828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).