N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide

C17H20N2O6S2 — CID 9158074

IUPACN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O6S2/c1-2-26(20,21)19-12-17(13-4-3-7-18-11-13)27(22,23)14-5-6-15-16(10-14)25-9-8-24-15/h3-7,10-11,17,19H,2,8-9,12H2,1H3/t17-/m0/s1
InChIKeyIBLPRFIZPIAYDA-KRWDZBQOSA-N
MW412.49 g/mol
LogP1.31
Rot. Bonds7

About N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide (PubChem CID 9158074) has the molecular formula C17H20N2O6S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
PubChem CID9158074
Molecular FormulaC17H20N2O6S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O6S2/c1-2-26(20,21)19-12-17(13-4-3-7-18-11-13)27(22,23)14-5-6-15-16(10-14)25-9-8-24-15/h3-7,10-11,17,19H,2,8-9,12H2,1H3/t17-/m0/s1
InChIKeyIBLPRFIZPIAYDA-KRWDZBQOSA-N
XLogP1.31
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
CID 9158175
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
3-chloro-N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]propanamide
CID 9158209
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9157756
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 124727871

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide (CID 9158074) is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The InChIKey is IBLPRFIZPIAYDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O6S2/c1-2-26(20,21)19-12-17(13-4-3-7-18-11-13)27(22,23)14-5-6-15-16(10-14)25-9-8-24-15/h3-7,10-11,17,19H,2,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide?
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide is sourced from PubChem (CID 9158074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).