2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide

C13H19ClN2O4S — CID 114944541

IUPAC2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-4-20-13(2,3)8-16-12(17)10-7-9(21(15,18)19)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyLXLLJPYTSLBOIH-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.53
Rot. Bonds6

About 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide

2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 114944541) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID114944541
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-4-20-13(2,3)8-16-12(17)10-7-9(21(15,18)19)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyLXLLJPYTSLBOIH-UHFFFAOYSA-N
XLogP1.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
3-chloro-N-(2-ethoxy-2-methylpropyl)-2-nitrobenzamide
CID 114941662
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114944144
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide (CID 114944541) is 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide is CCOC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is LXLLJPYTSLBOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-4-20-13(2,3)8-16-12(17)10-7-9(21(15,18)19)5-6-11(10)14/h5-7H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide?
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 114944541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).