2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide

C16H18N2O4S — CID 176879096

IUPAC2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide
SMILESCNCCOc1ccc(S(=O)(=O)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-18-10-11-22-12-6-8-13(9-7-12)23(20,21)15-5-3-2-4-14(15)16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyPJXLULODBXBXMD-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide

2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide (PubChem CID 176879096) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide
PubChem CID176879096
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide
SMILESCNCCOc1ccc(S(=O)(=O)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-18-10-11-22-12-6-8-13(9-7-12)23(20,21)15-5-3-2-4-14(15)16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyPJXLULODBXBXMD-UHFFFAOYSA-N
XLogP1.22
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
CID 86225524
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
2-[4-[2-[2-[4-(2-hydroxyphenyl)sulfonylphenoxy]ethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 67163889
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
N-methyl-2-(4-propylsulfonylphenoxy)ethanamine
CID 55065350
2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen
CID 86749256
2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide
CID 15421721
2-amino-3-(benzenesulfonyl)benzamide
CID 66736112
N-methyl-3-[4-[(3-propan-2-yl-1H-indol-2-yl)sulfonyl]phenoxy]propan-1-amine
CID 19417811
2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824604
2-[2-(methylamino)ethyl]benzamide
CID 69094527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide?
The IUPAC name of 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide (CID 176879096) is 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide.
What is the SMILES notation for 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide?
The canonical SMILES for 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide is CNCCOc1ccc(S(=O)(=O)c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide?
The InChIKey is PJXLULODBXBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-18-10-11-22-12-6-8-13(9-7-12)23(20,21)15-5-3-2-4-14(15)16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19).
What are the key properties of 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide?
2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide is sourced from PubChem (CID 176879096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).