3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide

C16H17FN2O3S — CID 9452229

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12-2-6-14(7-3-12)19-16(20)10-11-18-23(21,22)15-8-4-13(17)5-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZDVHJPDJBNHXSK-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.44
Rot. Bonds6

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

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide (PubChem CID 9452229) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
PubChem CID9452229
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12-2-6-14(7-3-12)19-16(20)10-11-18-23(21,22)15-8-4-13(17)5-9-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZDVHJPDJBNHXSK-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide (CID 9452229) is 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is ZDVHJPDJBNHXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-12-2-6-14(7-3-12)19-16(20)10-11-18-23(21,22)15-8-4-13(17)5-9-15/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 9452229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).