N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H21FN4O3S — CID 55956166

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-14(2)24(3)29(27,28)17-7-4-15(5-8-17)20(26)23-16-6-9-19(18(21)12-16)25-11-10-22-13-25/h4-14H,1-3H3,(H,23,26)
InChIKeyMACMHZCLRSFQAK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.29
Rot. Bonds6

About N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55956166) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55956166
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-14(2)24(3)29(27,28)17-7-4-15(5-8-17)20(26)23-16-6-9-19(18(21)12-16)25-11-10-22-13-25/h4-14H,1-3H3,(H,23,26)
InChIKeyMACMHZCLRSFQAK-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 55955653
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119860271
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55956166) is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is MACMHZCLRSFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-14(2)24(3)29(27,28)17-7-4-15(5-8-17)20(26)23-16-6-9-19(18(21)12-16)25-11-10-22-13-25/h4-14H,1-3H3,(H,23,26).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55956166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).