3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide

C12H16Cl2N2O4S — CID 81063673

IUPAC3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16Cl2N2O4S/c1-3-20-5-4-16(2)12(17)8-6-9(13)11(14)10(7-8)21(15,18)19/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeyNHWRMDFRRVYDPO-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.75
Rot. Bonds6

About 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide

3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide (PubChem CID 81063673) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
PubChem CID81063673
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16Cl2N2O4S/c1-3-20-5-4-16(2)12(17)8-6-9(13)11(14)10(7-8)21(15,18)19/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeyNHWRMDFRRVYDPO-UHFFFAOYSA-N
XLogP1.75
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-nitrobenzamide
CID 81059626
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
butyl 3,4-dichloro-5-sulfamoylbenzoate
CID 65382224
pentyl 3,4-dichloro-5-sulfamoylbenzoate
CID 65382710

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide (CID 81063673) is 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide is CCOCCN(C)C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The InChIKey is NHWRMDFRRVYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-3-20-5-4-16(2)12(17)8-6-9(13)11(14)10(7-8)21(15,18)19/h6-7H,3-5H2,1-2H3,(H2,15,18,19).
What are the key properties of 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide has a molecular weight of 355.24 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81063673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).