N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide

C17H19NO5S — CID 47038001

IUPACN-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C17H19NO5S/c1-22-15-10-6-9-14(16(15)23-2)17(19)18-11-12-24(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUKUAJFQTMKFYHV-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.91
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide

N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 47038001) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
PubChem CID47038001
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C17H19NO5S/c1-22-15-10-6-9-14(16(15)23-2)17(19)18-11-12-24(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUKUAJFQTMKFYHV-UHFFFAOYSA-N
XLogP1.91
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide (CID 47038001) is N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is UKUAJFQTMKFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-15-10-6-9-14(16(15)23-2)17(19)18-11-12-24(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 349.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 47038001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).