2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide

C13H19FN2O4S — CID 81482028

IUPAC2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C13H19FN2O4S/c1-9-7-10(21(15,18)19)8-11(12(9)14)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyAUIFHNYFUCRHDB-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.89
Rot. Bonds6

About 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide

2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 81482028) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
PubChem CID81482028
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C13H19FN2O4S/c1-9-7-10(21(15,18)19)8-11(12(9)14)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyAUIFHNYFUCRHDB-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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

2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81478870
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81480170
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 81481655
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
4,5-difluoro-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63008756
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide (CID 81482028) is 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide is COCCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F.
What is the InChIKey of 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is AUIFHNYFUCRHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-9-7-10(21(15,18)19)8-11(12(9)14)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19).
What are the key properties of 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide?
2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81482028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).