3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide

C22H20ClFN2O3S — CID 24979176

IUPAC3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H20ClFN2O3S/c1-26(15-19-20(23)11-6-12-21(19)24)22(27)17-9-5-10-18(13-17)30(28,29)25-14-16-7-3-2-4-8-16/h2-13,25H,14-15H2,1H3
InChIKeyCTPINHDRAAJURI-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.23
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide

3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 24979176) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID24979176
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H20ClFN2O3S/c1-26(15-19-20(23)11-6-12-21(19)24)22(27)17-9-5-10-18(13-17)30(28,29)25-14-16-7-3-2-4-8-16/h2-13,25H,14-15H2,1H3
InChIKeyCTPINHDRAAJURI-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide (CID 24979176) is 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is CTPINHDRAAJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-26(15-19-20(23)11-6-12-21(19)24)22(27)17-9-5-10-18(13-17)30(28,29)25-14-16-7-3-2-4-8-16/h2-13,25H,14-15H2,1H3.
What are the key properties of 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide?
3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 446.93 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 24979176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).