5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide

C13H19FN2O4S — CID 82939321

IUPAC5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
SMILESCOCCN(C(=O)c1cc(F)ccc1S(N)(=O)=O)C(C)C
InChIInChI=1S/C13H19FN2O4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(14)4-5-12(11)21(15,18)19/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18,19)
InChIKeyYPPDXIWIWPALTH-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.97
Rot. Bonds6

About 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide

5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide (PubChem CID 82939321) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
PubChem CID82939321
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
SMILESCOCCN(C(=O)c1cc(F)ccc1S(N)(=O)=O)C(C)C
InChIInChI=1S/C13H19FN2O4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(14)4-5-12(11)21(15,18)19/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18,19)
InChIKeyYPPDXIWIWPALTH-UHFFFAOYSA-N
XLogP0.97
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 103543338
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide?
The IUPAC name of 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide (CID 82939321) is 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide.
What is the SMILES notation for 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide?
The canonical SMILES for 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide is COCCN(C(=O)c1cc(F)ccc1S(N)(=O)=O)C(C)C.
What is the InChIKey of 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide?
The InChIKey is YPPDXIWIWPALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(14)4-5-12(11)21(15,18)19/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18,19).
What are the key properties of 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide?
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide is sourced from PubChem (CID 82939321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).