N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

C19H21FN2O3S — CID 26880642

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21FN2O3S/c20-16-10-8-15(9-11-16)14-21-19(23)17-6-2-3-7-18(17)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23)
InChIKeyWNBMZLVIWIURKM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 26880642) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID26880642
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21FN2O3S/c20-16-10-8-15(9-11-16)14-21-19(23)17-6-2-3-7-18(17)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23)
InChIKeyWNBMZLVIWIURKM-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55798245
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (CID 26880642) is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WNBMZLVIWIURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-10-8-15(9-11-16)14-21-19(23)17-6-2-3-7-18(17)26(24,25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26880642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).