N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide

C13H16F2N2O3S — CID 65389043

IUPACN-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H16F2N2O3S/c1-17(7-8-3-2-4-8)13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20)
InChIKeyGJQHOQRIUKPTCT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.48
Rot. Bonds4

About N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide

N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 65389043) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID65389043
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC NameN-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H16F2N2O3S/c1-17(7-8-3-2-4-8)13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20)
InChIKeyGJQHOQRIUKPTCT-UHFFFAOYSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
2-[cyclobutylmethyl(methyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 62861182
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide (CID 65389043) is N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide is CN(CC1CCC1)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F.
What is the InChIKey of N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is GJQHOQRIUKPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-17(7-8-3-2-4-8)13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20).
What are the key properties of N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide?
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 318.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65389043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).