2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide

C21H21ClN2O3S — CID 55614680

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H21ClN2O3S/c1-4-24(20-11-7-9-15-8-5-6-10-17(15)20)21(25)18-14-16(12-13-19(18)22)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyVEATULGQTWBYTN-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide

2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 55614680) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID55614680
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H21ClN2O3S/c1-4-24(20-11-7-9-15-8-5-6-10-17(15)20)21(25)18-14-16(12-13-19(18)22)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyVEATULGQTWBYTN-UHFFFAOYSA-N
XLogP4.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 49338730
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
CID 55775467
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
CID 8797229
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2442734
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide (CID 55614680) is 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is VEATULGQTWBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-4-24(20-11-7-9-15-8-5-6-10-17(15)20)21(25)18-14-16(12-13-19(18)22)28(26,27)23(2)3/h5-14H,4H2,1-3H3.
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide?
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 416.93 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 55614680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).