N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide

C11H14F2N2O3S — CID 65375638

IUPACN-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyRJQTUEVQANTCJL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.14
Rot. Bonds2

About N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide

N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide (PubChem CID 65375638) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
PubChem CID65375638
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyRJQTUEVQANTCJL-UHFFFAOYSA-N
XLogP1.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
CID 113480656
N-tert-butyl-2,4-difluoro-5-nitrobenzamide
CID 64592660
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372366
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
4-fluoro-5-sulfamoyl-2-(trifluoromethyl)benzoic acid
CID 22101420
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide?
The IUPAC name of N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide (CID 65375638) is N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide is CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1F.
What is the InChIKey of N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide?
The InChIKey is RJQTUEVQANTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-11(2,3)15-10(16)6-4-9(19(14,17)18)8(13)5-7(6)12/h4-5H,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide?
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide has a molecular weight of 292.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65375638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).