2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide

C13H18F2N2O3S — CID 65387362

IUPAC2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C(C)C
InChIInChI=1S/C13H18F2N2O3S/c1-4-5-17(8(2)3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyQVLJZDYGKQJDNZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.87
Rot. Bonds5

About 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide

2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide (PubChem CID 65387362) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
PubChem CID65387362
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C(C)C
InChIInChI=1S/C13H18F2N2O3S/c1-4-5-17(8(2)3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyQVLJZDYGKQJDNZ-UHFFFAOYSA-N
XLogP1.87
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962
5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 60876599

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide (CID 65387362) is 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide is CCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1F)C(C)C.
What is the InChIKey of 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The InChIKey is QVLJZDYGKQJDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-4-5-17(8(2)3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20).
What are the key properties of 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide has a molecular weight of 320.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).