3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide

C17H20FN3O6S2 — CID 55635947

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20FN3O6S2/c1-27-16-11-13(5-8-15(16)21-28(2,23)24)20-17(22)9-10-19-29(25,26)14-6-3-12(18)4-7-14/h3-8,11,19,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyXNAXPTADVNXIJG-UHFFFAOYSA-N
MW445.49 g/mol
LogP1.51
Rot. Bonds9

About 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide (PubChem CID 55635947) has the molecular formula C17H20FN3O6S2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
PubChem CID55635947
Molecular FormulaC17H20FN3O6S2
Molecular Weight445.49 g/mol
Exact Mass445.08
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20FN3O6S2/c1-27-16-11-13(5-8-15(16)21-28(2,23)24)20-17(22)9-10-19-29(25,26)14-6-3-12(18)4-7-14/h3-8,11,19,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyXNAXPTADVNXIJG-UHFFFAOYSA-N
XLogP1.51
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide (CID 55635947) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide is COc1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide?
The InChIKey is XNAXPTADVNXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O6S2/c1-27-16-11-13(5-8-15(16)21-28(2,23)24)20-17(22)9-10-19-29(25,26)14-6-3-12(18)4-7-14/h3-8,11,19,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide is sourced from PubChem (CID 55635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).