3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide

C24H21F2N5O3S — CID 24823523

IUPAC3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H21F2N5O3S/c1-24(2,22-14-27-31-29-22)30-35(33,34)19-10-5-16(6-11-19)15-3-8-18(9-4-15)28-23(32)17-7-12-20(25)21(26)13-17/h3-14,30H,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyPOPBIMLJXJHOQA-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.22
Rot. Bonds7

About 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide

3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide (PubChem CID 24823523) has the molecular formula C24H21F2N5O3S and a molecular weight of 497.53 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
PubChem CID24823523
Molecular FormulaC24H21F2N5O3S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H21F2N5O3S/c1-24(2,22-14-27-31-29-22)30-35(33,34)19-10-5-16(6-11-19)15-3-8-18(9-4-15)28-23(32)17-7-12-20(25)21(26)13-17/h3-14,30H,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyPOPBIMLJXJHOQA-UHFFFAOYSA-N
XLogP4.22
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873
N-(4-acetylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzenesulfonamide
CID 134140807
N-(4-acetylphenyl)-N-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzenesulfonamide
CID 134144576
N-(4-acetylphenyl)-N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]benzenesulfonamide
CID 134157902
N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 172636302
3,5-difluoro-N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]benzamide
CID 172636377
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide
CID 3355867
4-(Diethylsulfamoyl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-YL)phenyl]benzamide
CID 5112794
N-[[1-[(2S)-1-[(2,5-difluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]triazol-4-yl]methyl]-4-sulfamoylbenzamide
CID 25177402

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide (CID 24823523) is 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide is CC(C)(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1)c1cn[nH]n1.
What is the InChIKey of 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
The InChIKey is POPBIMLJXJHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3S/c1-24(2,22-14-27-31-29-22)30-35(33,34)19-10-5-16(6-11-19)15-3-8-18(9-4-15)28-23(32)17-7-12-20(25)21(26)13-17/h3-14,30H,1-2H3,(H,28,32)(H,27,29,31).
What are the key properties of 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide?
3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide has a molecular weight of 497.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide is sourced from PubChem (CID 24823523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).