5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C19H21FN2O4S — CID 2496418

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21FN2O4S/c1-13-8-9-15(27(24,25)22-18-7-3-2-6-17(18)20)11-16(13)19(23)21-12-14-5-4-10-26-14/h2-3,6-9,11,14,22H,4-5,10,12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyLXLFWPQLKQBJLN-AWEZNQCLSA-N
MW392.45 g/mol
LogP2.84
Rot. Bonds6

About 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 2496418) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID2496418
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H21FN2O4S/c1-13-8-9-15(27(24,25)22-18-7-3-2-6-17(18)20)11-16(13)19(23)21-12-14-5-4-10-26-14/h2-3,6-9,11,14,22H,4-5,10,12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyLXLFWPQLKQBJLN-AWEZNQCLSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 2496418) is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LXLFWPQLKQBJLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-8-9-15(27(24,25)22-18-7-3-2-6-17(18)20)11-16(13)19(23)21-12-14-5-4-10-26-14/h2-3,6-9,11,14,22H,4-5,10,12H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 392.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).