N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C18H21FN2O4S — CID 9211744

IUPACN-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyQGZLJOQNJHNFGF-ZDUSSCGKSA-N
MW380.44 g/mol
LogP2.70
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 9211744) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID9211744
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyQGZLJOQNJHNFGF-ZDUSSCGKSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
CID 42910827
N-(2,3-dimethylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9342410
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
methyl 3-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]-4-methylbenzoate
CID 9378165
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 9211744) is N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is QGZLJOQNJHNFGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 9211744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).