3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide

C24H23F2N3O4S — CID 4021155

IUPAC3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2N2CCCC2)cc1
InChIInChI=1S/C24H23F2N3O4S/c1-33-21-7-4-19(5-8-21)28-34(31,32)23-15-20(6-9-22(23)29-10-2-3-11-29)27-24(30)16-12-17(25)14-18(26)13-16/h4-9,12-15,28H,2-3,10-11H2,1H3,(H,27,30)
InChIKeyBNFHYJBEFVVDRI-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.63
Rot. Bonds7

About 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide

3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide (PubChem CID 4021155) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
PubChem CID4021155
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2N2CCCC2)cc1
InChIInChI=1S/C24H23F2N3O4S/c1-33-21-7-4-19(5-8-21)28-34(31,32)23-15-20(6-9-22(23)29-10-2-3-11-29)27-24(30)16-12-17(25)14-18(26)13-16/h4-9,12-15,28H,2-3,10-11H2,1H3,(H,27,30)
InChIKeyBNFHYJBEFVVDRI-UHFFFAOYSA-N
XLogP4.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
CID 24634722
2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933
2-chloro-N-[3-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylanilino]-3-oxopropyl]benzamide
CID 4831082
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 22109680
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
CID 4834938
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]acetamide
CID 25339777

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide (CID 4021155) is 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2N2CCCC2)cc1.
What is the InChIKey of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide?
The InChIKey is BNFHYJBEFVVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c1-33-21-7-4-19(5-8-21)28-34(31,32)23-15-20(6-9-22(23)29-10-2-3-11-29)27-24(30)16-12-17(25)14-18(26)13-16/h4-9,12-15,28H,2-3,10-11H2,1H3,(H,27,30).
What are the key properties of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide?
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide has a molecular weight of 487.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide is sourced from PubChem (CID 4021155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).