3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide

C16H15ClF2N2O3S — CID 4791283

IUPAC3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1F
InChIInChI=1S/C16H15ClF2N2O3S/c17-13-9-12(5-6-15(13)19)25(23,24)21-8-7-16(22)20-10-11-3-1-2-4-14(11)18/h1-6,9,21H,7-8,10H2,(H,20,22)
InChIKeyWVWFCMAQZJCZRU-UHFFFAOYSA-N
MW388.82 g/mol
LogP2.60
Rot. Bonds7

About 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 4791283) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID4791283
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1F
InChIInChI=1S/C16H15ClF2N2O3S/c17-13-9-12(5-6-15(13)19)25(23,24)21-8-7-16(22)20-10-11-3-1-2-4-14(11)18/h1-6,9,21H,7-8,10H2,(H,20,22)
InChIKeyWVWFCMAQZJCZRU-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide (CID 4791283) is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1F.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is WVWFCMAQZJCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c17-13-9-12(5-6-15(13)19)25(23,24)21-8-7-16(22)20-10-11-3-1-2-4-14(11)18/h1-6,9,21H,7-8,10H2,(H,20,22).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 388.82 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 4791283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).