3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

C18H19FN2O3S — CID 17248733

IUPAC3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyDEXCOOYBZCBWCR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds5

About 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide

3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 17248733) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID17248733
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyDEXCOOYBZCBWCR-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281859
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide (CID 17248733) is 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is DEXCOOYBZCBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22).
What are the key properties of 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide?
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 17248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).