N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C22H25FN2O4S — CID 43045341

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H25FN2O4S/c23-21-9-2-1-5-17(21)15-25(18-10-11-18)22(26)16-6-3-8-20(13-16)30(27,28)24-14-19-7-4-12-29-19/h1-3,5-6,8-9,13,18-19,24H,4,7,10-12,14-15H2
InChIKeyAWOXDQNJJFVZFS-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.09
Rot. Bonds8

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43045341) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43045341
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H25FN2O4S/c23-21-9-2-1-5-17(21)15-25(18-10-11-18)22(26)16-6-3-8-20(13-16)30(27,28)24-14-19-7-4-12-29-19/h1-3,5-6,8-9,13,18-19,24H,4,7,10-12,14-15H2
InChIKeyAWOXDQNJJFVZFS-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 34576472
4-N-[(2-fluorophenyl)methyl]-1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189937
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41022421
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
3-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 95551441
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 31443327
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43045341) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AWOXDQNJJFVZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c23-21-9-2-1-5-17(21)15-25(18-10-11-18)22(26)16-6-3-8-20(13-16)30(27,28)24-14-19-7-4-12-29-19/h1-3,5-6,8-9,13,18-19,24H,4,7,10-12,14-15H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43045341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).