N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide

C21H26FN3O4S — CID 90075200

IUPACN-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)CN3CCOCC3)c2)ccc1F
InChIInChI=1S/C21H26FN3O4S/c1-15-12-18(6-7-20(15)22)23-21(26)17-4-3-5-19(13-17)30(27,28)24-16(2)14-25-8-10-29-11-9-25/h3-7,12-13,16,24H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyINSAZMRHMVJIRJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.39
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide

N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide (PubChem CID 90075200) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
PubChem CID90075200
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)CN3CCOCC3)c2)ccc1F
InChIInChI=1S/C21H26FN3O4S/c1-15-12-18(6-7-20(15)22)23-21(26)17-4-3-5-19(13-17)30(27,28)24-16(2)14-25-8-10-29-11-9-25/h3-7,12-13,16,24H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyINSAZMRHMVJIRJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
CID 90075165
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide (CID 90075200) is N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)CN3CCOCC3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide?
The InChIKey is INSAZMRHMVJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-15-12-18(6-7-20(15)22)23-21(26)17-4-3-5-19(13-17)30(27,28)24-16(2)14-25-8-10-29-11-9-25/h3-7,12-13,16,24H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide?
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 90075200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).