3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide

C20H18FN3O3S — CID 47005486

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3S/c1-14(19-7-2-3-12-22-19)23-20(25)15-5-4-6-18(13-15)28(26,27)24-17-10-8-16(21)9-11-17/h2-14,24H,1H3,(H,23,25)
InChIKeyAFMOGTYUUSAOIQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.51
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 47005486) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID47005486
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1
InChIInChI=1S/C20H18FN3O3S/c1-14(19-7-2-3-12-22-19)23-20(25)15-5-4-6-18(13-15)28(26,27)24-17-10-8-16(21)9-11-17/h2-14,24H,1H3,(H,23,25)
InChIKeyAFMOGTYUUSAOIQ-UHFFFAOYSA-N
XLogP3.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134056280
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide (CID 47005486) is 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is AFMOGTYUUSAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-14(19-7-2-3-12-22-19)23-20(25)15-5-4-6-18(13-15)28(26,27)24-17-10-8-16(21)9-11-17/h2-14,24H,1H3,(H,23,25).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 47005486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).