N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide

C13H17FN2O4S — CID 103743834

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C13H17FN2O4S/c14-11-5-10(6-12(7-11)21(15,18)19)13(17)16-3-4-20-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyIMSJAWFPZLYNLU-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.63
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide

N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide (PubChem CID 103743834) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
PubChem CID103743834
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C13H17FN2O4S/c14-11-5-10(6-12(7-11)21(15,18)19)13(17)16-3-4-20-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyIMSJAWFPZLYNLU-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65387647
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 29238978
N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
CID 103773500

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide (CID 103743834) is N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(F)cc(C(=O)NCCOCC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is IMSJAWFPZLYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-11-5-10(6-12(7-11)21(15,18)19)13(17)16-3-4-20-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 103743834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).