4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide

C16H17FN2O4S — CID 40718070

IUPAC4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)19-11-10-18-16(20)12-2-4-13(17)5-3-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyVALBZESTKCVNTJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.54
Rot. Bonds7

About 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide

4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 40718070) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
PubChem CID40718070
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)19-11-10-18-16(20)12-2-4-13(17)5-3-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyVALBZESTKCVNTJ-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 30757530
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]butanoate
CID 7993662

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (CID 40718070) is 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is VALBZESTKCVNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)19-11-10-18-16(20)12-2-4-13(17)5-3-12/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 40718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).