4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

C22H20FNO3S — CID 51955516

IUPAC4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H20FNO3S/c1-16(19-6-5-7-20(23)14-19)24-22(25)18-12-10-17(11-13-18)15-28(26,27)21-8-3-2-4-9-21/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyBUZWWJFNLNVVDX-MRXNPFEDSA-N
MW397.47 g/mol
LogP4.29
Rot. Bonds6

About 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 51955516) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
PubChem CID51955516
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H20FNO3S/c1-16(19-6-5-7-20(23)14-19)24-22(25)18-12-10-17(11-13-18)15-28(26,27)21-8-3-2-4-9-21/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyBUZWWJFNLNVVDX-MRXNPFEDSA-N
XLogP4.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 92814322
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (CID 51955516) is 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is BUZWWJFNLNVVDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-16(19-6-5-7-20(23)14-19)24-22(25)18-12-10-17(11-13-18)15-28(26,27)21-8-3-2-4-9-21/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 397.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 51955516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).