N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide

C15H16F2N2O4S2 — CID 4878108

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H16F2N2O4S2/c1-10-7-8-11(9-14(10)25(22,23)19(2)3)18-24(20,21)15-12(16)5-4-6-13(15)17/h4-9,18H,1-3H3
InChIKeyVYJQODAIMTZANP-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 4878108) has the molecular formula C15H16F2N2O4S2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
PubChem CID4878108
Molecular FormulaC15H16F2N2O4S2
Molecular Weight390.43 g/mol
Exact Mass390.05
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H16F2N2O4S2/c1-10-7-8-11(9-14(10)25(22,23)19(2)3)18-24(20,21)15-12(16)5-4-6-13(15)17/h4-9,18H,1-3H3
InChIKeyVYJQODAIMTZANP-UHFFFAOYSA-N
XLogP2.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
CID 8513731
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
CID 4875200
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,6-difluorobenzenesulfonamide
CID 3714475
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide (CID 4878108) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is VYJQODAIMTZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S2/c1-10-7-8-11(9-14(10)25(22,23)19(2)3)18-24(20,21)15-12(16)5-4-6-13(15)17/h4-9,18H,1-3H3.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 390.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 4878108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).