2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide

C18H21FN2O3S — CID 166235306

IUPAC2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1cccc(F)c1)NC(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H21FN2O3S/c1-13(11-14-7-6-8-15(19)12-14)20-18(22)16-9-4-5-10-17(16)25(23,24)21(2)3/h4-10,12-13H,11H2,1-3H3,(H,20,22)
InChIKeyKCHKIYJADOBJQF-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.44
Rot. Bonds6

About 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide

2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide (PubChem CID 166235306) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide
PubChem CID166235306
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1cccc(F)c1)NC(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H21FN2O3S/c1-13(11-14-7-6-8-15(19)12-14)20-18(22)16-9-4-5-10-17(16)25(23,24)21(2)3/h4-10,12-13H,11H2,1-3H3,(H,20,22)
InChIKeyKCHKIYJADOBJQF-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide
CID 99874030
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-[1-(3-fluorophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 142308444
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
CID 156852266
2-fluoro-N-[1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46447828
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide (CID 166235306) is 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide is CC(Cc1cccc(F)c1)NC(=O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is KCHKIYJADOBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(11-14-7-6-8-15(19)12-14)20-18(22)16-9-4-5-10-17(16)25(23,24)21(2)3/h4-10,12-13H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide?
2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 166235306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).