N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide

C18H20ClFN2O3S — CID 71859383

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)C(C)Cc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-12(10-13-4-7-15(19)8-5-13)22(3)18(23)14-6-9-16(20)17(11-14)26(24,25)21-2/h4-9,11-12,21H,10H2,1-3H3
InChIKeyUCIYRKFXIAZLHF-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide

N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide (PubChem CID 71859383) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide
PubChem CID71859383
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)C(C)Cc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-12(10-13-4-7-15(19)8-5-13)22(3)18(23)14-6-9-16(20)17(11-14)26(24,25)21-2/h4-9,11-12,21H,10H2,1-3H3
InChIKeyUCIYRKFXIAZLHF-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
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3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
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N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide (CID 71859383) is N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N(C)C(C)Cc2ccc(Cl)cc2)ccc1F.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide?
The InChIKey is UCIYRKFXIAZLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-12(10-13-4-7-15(19)8-5-13)22(3)18(23)14-6-9-16(20)17(11-14)26(24,25)21-2/h4-9,11-12,21H,10H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide?
N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-4-fluoro-N-methyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 71859383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).