3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide

C16H16Cl2N2O3S — CID 134057882

IUPAC3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-20(2)16(21)11-5-4-6-13(9-11)19-24(22,23)15-10-12(17)7-8-14(15)18/h4-10,19H,3H2,1-2H3
InChIKeyIYXRWNFOAAFQPB-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.89
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide

3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide (PubChem CID 134057882) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
PubChem CID134057882
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-20(2)16(21)11-5-4-6-13(9-11)19-24(22,23)15-10-12(17)7-8-14(15)18/h4-10,19H,3H2,1-2H3
InChIKeyIYXRWNFOAAFQPB-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 24542588
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide (CID 134057882) is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide?
The InChIKey is IYXRWNFOAAFQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-3-20(2)16(21)11-5-4-6-13(9-11)19-24(22,23)15-10-12(17)7-8-14(15)18/h4-10,19H,3H2,1-2H3.
What are the key properties of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide?
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide has a molecular weight of 387.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 134057882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).