N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

C15H15F2NO3S — CID 99490419

IUPACN-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(C)c1C
InChIInChI=1S/C15H15F2NO3S/c1-9-10(2)14(8-7-13(9)21-3)22(19,20)18-15-11(16)5-4-6-12(15)17/h4-8,18H,1-3H3
InChIKeyNXOXTIGGZVUPAE-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.39
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 99490419) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID99490419
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(C)c1C
InChIInChI=1S/C15H15F2NO3S/c1-9-10(2)14(8-7-13(9)21-3)22(19,20)18-15-11(16)5-4-6-12(15)17/h4-8,18H,1-3H3
InChIKeyNXOXTIGGZVUPAE-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100718396
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 99490419) is N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(C)c1C.
What is the InChIKey of N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is NXOXTIGGZVUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-9-10(2)14(8-7-13(9)21-3)22(19,20)18-15-11(16)5-4-6-12(15)17/h4-8,18H,1-3H3.
What are the key properties of N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 99490419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).