5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C26H28FN3O3S — CID 43019329

IUPAC5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C26H28FN3O3S/c1-19-9-14-23(34(32,33)29-22-12-10-21(27)11-13-22)17-24(19)26(31)28-18-25(30-15-5-6-16-30)20-7-3-2-4-8-20/h2-4,7-14,17,25,29H,5-6,15-16,18H2,1H3,(H,28,31)
InChIKeyIYJGQJVZNFDHFN-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.50
Rot. Bonds8

About 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 43019329) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID43019329
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C26H28FN3O3S/c1-19-9-14-23(34(32,33)29-22-12-10-21(27)11-13-22)17-24(19)26(31)28-18-25(30-15-5-6-16-30)20-7-3-2-4-8-20/h2-4,7-14,17,25,29H,5-6,15-16,18H2,1H3,(H,28,31)
InChIKeyIYJGQJVZNFDHFN-UHFFFAOYSA-N
XLogP4.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25407688
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-sulfamoylbenzamide
CID 27772015
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55347598
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 43019329) is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is IYJGQJVZNFDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-19-9-14-23(34(32,33)29-22-12-10-21(27)11-13-22)17-24(19)26(31)28-18-25(30-15-5-6-16-30)20-7-3-2-4-8-20/h2-4,7-14,17,25,29H,5-6,15-16,18H2,1H3,(H,28,31).
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 481.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 43019329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).