N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide

C16H25N3O3S — CID 110446224

IUPACN-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-18(4-2)14-10-11-19(13-14)16(20)12-17-23(21,22)15-8-6-5-7-9-15/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyFAZAQHHUWXSABJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds7

About N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide

N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 110446224) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID110446224
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-18(4-2)14-10-11-19(13-14)16(20)12-17-23(21,22)15-8-6-5-7-9-15/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyFAZAQHHUWXSABJ-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 63106764
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
2-[1-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 66878210
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 110446224) is N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide is CCN(CC)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is FAZAQHHUWXSABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-18(4-2)14-10-11-19(13-14)16(20)12-17-23(21,22)15-8-6-5-7-9-15/h5-9,14,17H,3-4,10-13H2,1-2H3.
What are the key properties of N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 110446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).