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

C16H17FN2O4S — CID 40718082

IUPAC2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-6-8-13(9-7-12)24(21,22)19-11-10-18-16(20)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyKNWRSEJVJGQGKA-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.54
Rot. Bonds7

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

2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 40718082) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
PubChem CID40718082
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-6-8-13(9-7-12)24(21,22)19-11-10-18-16(20)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyKNWRSEJVJGQGKA-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-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70752609
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (CID 40718082) is 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is KNWRSEJVJGQGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-12-6-8-13(9-7-12)24(21,22)19-11-10-18-16(20)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
2-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 2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 40718082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).