2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide

C13H12F2N2O4S2 — CID 35540385

IUPAC2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-9-4-2-5-10(8-9)17-23(20,21)13-11(14)6-3-7-12(13)15/h2-8,16-17H,1H3
InChIKeyOHMGNSALAGDDPC-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.14
Rot. Bonds5

About 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide

2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 35540385) has the molecular formula C13H12F2N2O4S2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID35540385
Molecular FormulaC13H12F2N2O4S2
Molecular Weight362.38 g/mol
Exact Mass362.02
IUPAC Name2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-9-4-2-5-10(8-9)17-23(20,21)13-11(14)6-3-7-12(13)15/h2-8,16-17H,1H3
InChIKeyOHMGNSALAGDDPC-UHFFFAOYSA-N
XLogP2.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
3-[2-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689417

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide (CID 35540385) is 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is OHMGNSALAGDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-9-4-2-5-10(8-9)17-23(20,21)13-11(14)6-3-7-12(13)15/h2-8,16-17H,1H3.
What are the key properties of 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 35540385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).