3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide

C16H17FN2O4S — CID 86926608

IUPAC3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17FN2O4S/c1-23-15-11-12(17)7-8-14(15)19-16(20)9-10-18-24(21,22)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJRXQGMUOHPHEMX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.14
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide

3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide (PubChem CID 86926608) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
PubChem CID86926608
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17FN2O4S/c1-23-15-11-12(17)7-8-14(15)19-16(20)9-10-18-24(21,22)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJRXQGMUOHPHEMX-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192805
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide (CID 86926608) is 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide is COc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The InChIKey is JRXQGMUOHPHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-15-11-12(17)7-8-14(15)19-16(20)9-10-18-24(21,22)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide?
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 86926608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).