N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H21FN2O3S — CID 33314705

IUPACN-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)21(4)25(23,24)16-9-6-14(7-10-16)18(22)20-17-11-15(19)8-5-13(17)3/h5-12H,1-4H3,(H,20,22)
InChIKeyNKUDYFOIQMHSPW-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.42
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 33314705) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID33314705
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)21(4)25(23,24)16-9-6-14(7-10-16)18(22)20-17-11-15(19)8-5-13(17)3/h5-12H,1-4H3,(H,20,22)
InChIKeyNKUDYFOIQMHSPW-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9211744
N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 113092963
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 33314705) is N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is NKUDYFOIQMHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)21(4)25(23,24)16-9-6-14(7-10-16)18(22)20-17-11-15(19)8-5-13(17)3/h5-12H,1-4H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 33314705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).