4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide

C12H14F2N2O4S — CID 127266011

IUPAC4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide
SMILESNC(=O)c1cc(F)c(F)cc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H14F2N2O4S/c13-9-4-8(12(15)17)11(5-10(9)14)16-21(18,19)6-7-2-1-3-20-7/h4-5,7,16H,1-3,6H2,(H2,15,17)
InChIKeyCQONBWATSGRPJN-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.98
Rot. Bonds5

About 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide

4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide (PubChem CID 127266011) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide.

Molecular Properties

Compound Name4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide
PubChem CID127266011
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide
SMILESNC(=O)c1cc(F)c(F)cc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H14F2N2O4S/c13-9-4-8(12(15)17)11(5-10(9)14)16-21(18,19)6-7-2-1-3-20-7/h4-5,7,16H,1-3,6H2,(H2,15,17)
InChIKeyCQONBWATSGRPJN-UHFFFAOYSA-N
XLogP0.98
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N'-hydroxy-2-(oxolan-2-ylmethylsulfonylamino)benzenecarboximidamide
CID 107800988
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
5-(oxolan-2-ylmethylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 79499481
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide?
The IUPAC name of 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide (CID 127266011) is 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide.
What is the SMILES notation for 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide?
The canonical SMILES for 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide is NC(=O)c1cc(F)c(F)cc1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide?
The InChIKey is CQONBWATSGRPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-9-4-8(12(15)17)11(5-10(9)14)16-21(18,19)6-7-2-1-3-20-7/h4-5,7,16H,1-3,6H2,(H2,15,17).
What are the key properties of 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide?
4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide has a molecular weight of 320.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide is sourced from PubChem (CID 127266011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).