2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide

C14H12F2N2O3S — CID 31579746

IUPAC2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
SMILESCN(c1ccccc1C(N)=O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O3S/c1-18(12-8-3-2-5-9(12)14(17)19)22(20,21)13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,19)
InChIKeyZXQDQXJGEMQPMP-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide

2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide (PubChem CID 31579746) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
PubChem CID31579746
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
SMILESCN(c1ccccc1C(N)=O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O3S/c1-18(12-8-3-2-5-9(12)14(17)19)22(20,21)13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,19)
InChIKeyZXQDQXJGEMQPMP-UHFFFAOYSA-N
XLogP1.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
CID 17436993
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
(2-carbamoylphenyl) 2,6-difluorobenzenesulfonate
CID 32937499
2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide
CID 26950706
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
CID 51170144
2-fluorobenzamide;dihydrochloride
CID 22563899
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4994622
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
2-[methyl-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]amino]benzamide
CID 24602631

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide (CID 31579746) is 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide is CN(c1ccccc1C(N)=O)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide?
The InChIKey is ZXQDQXJGEMQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-18(12-8-3-2-5-9(12)14(17)19)22(20,21)13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,19).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide?
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide has a molecular weight of 326.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 31579746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).