N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

C16H17ClN2O4S — CID 119976246

IUPACN-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESNC(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccccc1
InChIInChI=1S/C16H17ClN2O4S/c17-12-8-14-15(23-7-6-22-14)9-16(12)24(20,21)19-10-13(18)11-4-2-1-3-5-11/h1-5,8-9,13,19H,6-7,10,18H2
InChIKeyKKVGWYQNUNYXMZ-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.09
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (PubChem CID 119976246) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
PubChem CID119976246
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESNC(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccccc1
InChIInChI=1S/C16H17ClN2O4S/c17-12-8-14-15(23-7-6-22-14)9-16(12)24(20,21)19-10-13(18)11-4-2-1-3-5-11/h1-5,8-9,13,19H,6-7,10,18H2
InChIKeyKKVGWYQNUNYXMZ-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-(3-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119972671
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 46972338
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
6-bromo-N-[(2S)-2-sulfamoylpropyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 97253306
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (CID 119976246) is N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is NC(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The InChIKey is KKVGWYQNUNYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-12-8-14-15(23-7-6-22-14)9-16(12)24(20,21)19-10-13(18)11-4-2-1-3-5-11/h1-5,8-9,13,19H,6-7,10,18H2.
What are the key properties of N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide has a molecular weight of 368.84 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is sourced from PubChem (CID 119976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).