4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

C18H20ClFN2O3S — CID 51189994

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-22(12-13-6-5-7-15(20)10-13)18(23)14-8-9-16(19)17(11-14)26(24,25)21(2)3/h5-11H,4,12H2,1-3H3
InChIKeyJZFAJPVDSVSLQC-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.39
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 51189994) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID51189994
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-22(12-13-6-5-7-15(20)10-13)18(23)14-8-9-16(19)17(11-14)26(24,25)21(2)3/h5-11H,4,12H2,1-3H3
InChIKeyJZFAJPVDSVSLQC-UHFFFAOYSA-N
XLogP3.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43028000
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55373351
N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31866538
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
(3-fluorophenyl)methyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (CID 51189994) is 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is JZFAJPVDSVSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-4-22(12-13-6-5-7-15(20)10-13)18(23)14-8-9-16(19)17(11-14)26(24,25)21(2)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 51189994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).