3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

C20H22Cl2N2O3S — CID 46577867

IUPAC3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-24(13-15-7-5-11-18(21)19(15)22)20(25)14-6-4-10-17(12-14)28(26,27)23-16-8-2-3-9-16/h4-7,10-12,16,23H,2-3,8-9,13H2,1H3
InChIKeyGFRNYDCUUGWXHW-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.49
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (PubChem CID 46577867) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
PubChem CID46577867
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-24(13-15-7-5-11-18(21)19(15)22)20(25)14-6-4-10-17(12-14)28(26,27)23-16-8-2-3-9-16/h4-7,10-12,16,23H,2-3,8-9,13H2,1H3
InChIKeyGFRNYDCUUGWXHW-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
2-(cyclopentylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 60686913
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 71884484
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (CID 46577867) is 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is GFRNYDCUUGWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-24(13-15-7-5-11-18(21)19(15)22)20(25)14-6-4-10-17(12-14)28(26,27)23-16-8-2-3-9-16/h4-7,10-12,16,23H,2-3,8-9,13H2,1H3.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 441.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 46577867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).