N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide

C14H13F2NO2S — CID 47387538

IUPACN-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO2S/c1-10-3-6-12(7-4-10)20(18,19)17(2)11-5-8-13(15)14(16)9-11/h3-9H,1-2H3
InChIKeySVTKBTWABWYKFM-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.10
Rot. Bonds3

About N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide

N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 47387538) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID47387538
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO2S/c1-10-3-6-12(7-4-10)20(18,19)17(2)11-5-8-13(15)14(16)9-11/h3-9H,1-2H3
InChIKeySVTKBTWABWYKFM-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63235864
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 62969390
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
CID 46831772

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide (CID 47387538) is N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is SVTKBTWABWYKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-10-3-6-12(7-4-10)20(18,19)17(2)11-5-8-13(15)14(16)9-11/h3-9H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide?
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 47387538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).