N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide

C15H15NO4S — CID 94317245

IUPACN-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-20-13-7-5-6-12(10-13)15(17)11-16-21(18,19)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKeyDDCSYWDRVDQAFY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide

N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 94317245) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID94317245
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-20-13-7-5-6-12(10-13)15(17)11-16-21(18,19)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKeyDDCSYWDRVDQAFY-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(furan-2-yl)-5-methoxyphenyl]-2-oxoethyl]benzenesulfonamide
CID 162132868
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
3-(benzenesulfonamidomethoxy)-N-phenylbenzamide
CID 70244588
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588593

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (CID 94317245) is N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is COc1cccc(C(=O)CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is DDCSYWDRVDQAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-13-7-5-6-12(10-13)15(17)11-16-21(18,19)14-8-3-2-4-9-14/h2-10,16H,11H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 94317245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).