2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C12H16ClFN2O4S — CID 65387832

IUPAC2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O4S/c1-3-16(4-5-20-2)12(17)8-6-11(21(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeyIMSYEFVEQQVDSN-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.24
Rot. Bonds6

About 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65387832) has the molecular formula C12H16ClFN2O4S and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID65387832
Molecular FormulaC12H16ClFN2O4S
Molecular Weight338.79 g/mol
Exact Mass338.05
IUPAC Name2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O4S/c1-3-16(4-5-20-2)12(17)8-6-11(21(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19)
InChIKeyIMSYEFVEQQVDSN-UHFFFAOYSA-N
XLogP1.24
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65371948
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
CID 65370803
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 65387832) is 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is CCN(CCOC)C(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is IMSYEFVEQQVDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S/c1-3-16(4-5-20-2)12(17)8-6-11(21(15,18)19)10(14)7-9(8)13/h6-7H,3-5H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).