3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide

C18H21FN2O3S — CID 40790771

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyHHILCJRFUFMMHK-ZDUSSCGKSA-N
MW364.44 g/mol
LogP3.40
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 40790771) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID40790771
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyHHILCJRFUFMMHK-ZDUSSCGKSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
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3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
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3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-fluorophenyl)sulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
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3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24642262
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
CID 119666444
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 40790771) is 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is HHILCJRFUFMMHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)13(3)20-18(22)14-7-6-8-15(11-14)25(23,24)21-17-10-5-4-9-16(17)19/h4-13,21H,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 40790771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).