4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide

C16H16FN3O4S — CID 9441750

IUPAC4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O4S/c17-12-3-7-14(8-4-12)25(23,24)19-10-9-15(21)20-13-5-1-11(2-6-13)16(18)22/h1-8,19H,9-10H2,(H2,18,22)(H,20,21)
InChIKeyIVKHVHKOPGZULE-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.23
Rot. Bonds7

About 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide

4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 9441750) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID9441750
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O4S/c17-12-3-7-14(8-4-12)25(23,24)19-10-9-15(21)20-13-5-1-11(2-6-13)16(18)22/h1-8,19H,9-10H2,(H2,18,22)(H,20,21)
InChIKeyIVKHVHKOPGZULE-UHFFFAOYSA-N
XLogP1.23
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide (CID 9441750) is 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is IVKHVHKOPGZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c17-12-3-7-14(8-4-12)25(23,24)19-10-9-15(21)20-13-5-1-11(2-6-13)16(18)22/h1-8,19H,9-10H2,(H2,18,22)(H,20,21).
What are the key properties of 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 365.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 9441750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).