N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide

C16H16F3N3O3S — CID 133339349

IUPACN-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16F3N3O3S/c1-10(15(23)22-11-5-3-2-4-6-11)21-12-7-8-14(26(20,24)25)13(9-12)16(17,18)19/h2-10,21H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyWSXBDCSTDYGSDR-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.79
Rot. Bonds5

About N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide

N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 133339349) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID133339349
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16F3N3O3S/c1-10(15(23)22-11-5-3-2-4-6-11)21-12-7-8-14(26(20,24)25)13(9-12)16(17,18)19/h2-10,21H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyWSXBDCSTDYGSDR-UHFFFAOYSA-N
XLogP2.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide (CID 133339349) is N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide is CC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is WSXBDCSTDYGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-10(15(23)22-11-5-3-2-4-6-11)21-12-7-8-14(26(20,24)25)13(9-12)16(17,18)19/h2-10,21H,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide?
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 387.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 133339349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).