N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide

C16H19NO5S2 — CID 55532187

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO5S2/c1-22-14-9-7-13(8-10-14)11-12-17-24(20,21)16-6-4-3-5-15(16)23(2,18)19/h3-10,17H,11-12H2,1-2H3
InChIKeyZZQPFWXHIVVTAH-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 55532187) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID55532187
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO5S2/c1-22-14-9-7-13(8-10-14)11-12-17-24(20,21)16-6-4-3-5-15(16)23(2,18)19/h3-10,17H,11-12H2,1-2H3
InChIKeyZZQPFWXHIVVTAH-UHFFFAOYSA-N
XLogP1.62
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976561
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-1,3-benzothiazol-2-amine
CID 155801332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide (CID 55532187) is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is ZZQPFWXHIVVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-22-14-9-7-13(8-10-14)11-12-17-24(20,21)16-6-4-3-5-15(16)23(2,18)19/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55532187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).