N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide

C19H21FN2O5S2 — CID 55959373

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O5S2/c1-13(28(24,25)17-10-4-15(20)5-11-17)19(23)21-12-14-2-8-18(9-3-14)29(26,27)22-16-6-7-16/h2-5,8-11,13,16,22H,6-7,12H2,1H3,(H,21,23)
InChIKeyZZGUZEXWBPJUPI-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.75
Rot. Bonds8

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 55959373) has the molecular formula C19H21FN2O5S2 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID55959373
Molecular FormulaC19H21FN2O5S2
Molecular Weight440.52 g/mol
Exact Mass440.09
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O5S2/c1-13(28(24,25)17-10-4-15(20)5-11-17)19(23)21-12-14-2-8-18(9-3-14)29(26,27)22-16-6-7-16/h2-5,8-11,13,16,22H,6-7,12H2,1H3,(H,21,23)
InChIKeyZZGUZEXWBPJUPI-UHFFFAOYSA-N
XLogP1.75
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 42962647
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 55959373) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide is CC(C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is ZZGUZEXWBPJUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S2/c1-13(28(24,25)17-10-4-15(20)5-11-17)19(23)21-12-14-2-8-18(9-3-14)29(26,27)22-16-6-7-16/h2-5,8-11,13,16,22H,6-7,12H2,1H3,(H,21,23).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 440.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 55959373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).