N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C19H21FN2O3S — CID 30393897

IUPACN-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-18-9-5-15(6-10-18)13-21-19(23)17-7-3-16(4-8-17)14-26(24,25)22-11-1-2-12-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyKFUZGXYUOYLGAN-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.68
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 30393897) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID30393897
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-18-9-5-15(6-10-18)13-21-19(23)17-7-3-16(4-8-17)14-26(24,25)22-11-1-2-12-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyKFUZGXYUOYLGAN-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28576425
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 30393897) is N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is KFUZGXYUOYLGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-18-9-5-15(6-10-18)13-21-19(23)17-7-3-16(4-8-17)14-26(24,25)22-11-1-2-12-22/h3-10H,1-2,11-14H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 30393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).