2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide

C13H18F2N2O3S — CID 65387387

IUPAC2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
SMILESCCCCCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-3-4-5-6-17(2)13(18)10-7-9(14)8-11(12(10)15)21(16,19)20/h7-8H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyOGCZXDYWAUXHHR-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.87
Rot. Bonds6

About 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide

2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide (PubChem CID 65387387) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
PubChem CID65387387
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
SMILESCCCCCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-3-4-5-6-17(2)13(18)10-7-9(14)8-11(12(10)15)21(16,19)20/h7-8H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyOGCZXDYWAUXHHR-UHFFFAOYSA-N
XLogP1.87
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962
4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
CID 112676812
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide (CID 65387387) is 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide is CCCCCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide?
The InChIKey is OGCZXDYWAUXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-3-4-5-6-17(2)13(18)10-7-9(14)8-11(12(10)15)21(16,19)20/h7-8H,3-6H2,1-2H3,(H2,16,19,20).
What are the key properties of 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide?
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide has a molecular weight of 320.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).