3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide

C17H19FN2O4S — CID 46663760

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O4S/c1-12(11-24-2)19-17(21)13-4-3-5-16(10-13)25(22,23)20-15-8-6-14(18)7-9-15/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyGDEJLVRLNIHKSZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.39
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 46663760) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
PubChem CID46663760
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O4S/c1-12(11-24-2)19-17(21)13-4-3-5-16(10-13)25(22,23)20-15-8-6-14(18)7-9-15/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyGDEJLVRLNIHKSZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 95789726
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853826
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 47005486

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide (CID 46663760) is 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is GDEJLVRLNIHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12(11-24-2)19-17(21)13-4-3-5-16(10-13)25(22,23)20-15-8-6-14(18)7-9-15/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.39, 7 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-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 46663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).