2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide

C12H16F2N2O4S — CID 63374883

IUPAC2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O4S/c1-16(6-3-7-20-2)12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5H,3,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyRFKJHQNUNZLMNA-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.72
Rot. Bonds6

About 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide

2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide (PubChem CID 63374883) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
PubChem CID63374883
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O4S/c1-16(6-3-7-20-2)12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5H,3,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyRFKJHQNUNZLMNA-UHFFFAOYSA-N
XLogP0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.72
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

2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144
2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81482028
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
2-methoxyethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65373920
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide (CID 63374883) is 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide is COCCCN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide?
The InChIKey is RFKJHQNUNZLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-16(6-3-7-20-2)12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5H,3,6-7H2,1-2H3,(H2,15,18,19).
What are the key properties of 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide?
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide has a molecular weight of 322.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 63374883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).