2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide

C23H23FN4O4S — CID 69282449

IUPAC2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCC2CCCO2)c1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H23FN4O4S/c24-19-6-2-5-17(11-19)22-25-13-18(14-26-22)23(29)27-12-16-4-1-8-21(10-16)33(30,31)28-15-20-7-3-9-32-20/h1-2,4-6,8,10-11,13-14,20,28H,3,7,9,12,15H2,(H,27,29)
InChIKeyZGDLSWQRVSWEBR-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.67
Rot. Bonds8

About 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide

2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 69282449) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID69282449
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCC2CCCO2)c1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H23FN4O4S/c24-19-6-2-5-17(11-19)22-25-13-18(14-26-22)23(29)27-12-16-4-1-8-21(10-16)33(30,31)28-15-20-7-3-9-32-20/h1-2,4-6,8,10-11,13-14,20,28H,3,7,9,12,15H2,(H,27,29)
InChIKeyZGDLSWQRVSWEBR-UHFFFAOYSA-N
XLogP2.67
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[[3-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]phenyl]methyl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 16665710
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
2-(3-fluorophenyl)-N-[[3-[propyl(pyrrolidin-3-yl)sulfamoyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 69122635

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 69282449) is 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is O=C(NCc1cccc(S(=O)(=O)NCC2CCCO2)c1)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is ZGDLSWQRVSWEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c24-19-6-2-5-17(11-19)22-25-13-18(14-26-22)23(29)27-12-16-4-1-8-21(10-16)33(30,31)28-15-20-7-3-9-32-20/h1-2,4-6,8,10-11,13-14,20,28H,3,7,9,12,15H2,(H,27,29).
What are the key properties of 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 69282449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).