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

C21H21ClN2O3S — CID 49338730

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C21H21ClN2O3S/c1-4-24(17-10-9-15-7-5-6-8-16(15)13-17)21(25)19-14-18(11-12-20(19)22)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyDMLQBXZHFLRACD-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.41
Rot. Bonds5

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

2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide (PubChem CID 49338730) 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-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
PubChem CID49338730
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C21H21ClN2O3S/c1-4-24(17-10-9-15-7-5-6-8-16(15)13-17)21(25)19-14-18(11-12-20(19)22)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyDMLQBXZHFLRACD-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-1-ylbenzamide
CID 55614680
2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
CID 587064
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 60607346
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
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-(2-hydroxynaphthalen-1-yl)benzamide
CID 8797229
5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
CID 55775467
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-ethyl-N-naphthalen-2-ylquinoline-5-carboxamide
CID 60607375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide (CID 49338730) is 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The InChIKey is DMLQBXZHFLRACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-4-24(17-10-9-15-7-5-6-8-16(15)13-17)21(25)19-14-18(11-12-20(19)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-2-ylbenzamide?
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-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-2-ylbenzamide is sourced from PubChem (CID 49338730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).