N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide

C16H17F2NO5S — CID 22206049

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)c(OC)c1
InChIInChI=1S/C16H17F2NO5S/c1-10-4-6-12(13(8-10)24-16(17)18)19-25(20,21)15-7-5-11(22-2)9-14(15)23-3/h4-9,16,19H,1-3H3
InChIKeyYWSZCXTYPZNPQR-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22206049) has the molecular formula C16H17F2NO5S and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22206049
Molecular FormulaC16H17F2NO5S
Molecular Weight373.38 g/mol
Exact Mass373.08
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)c(OC)c1
InChIInChI=1S/C16H17F2NO5S/c1-10-4-6-12(13(8-10)24-16(17)18)19-25(20,21)15-7-5-11(22-2)9-14(15)23-3/h4-9,16,19H,1-3H3
InChIKeyYWSZCXTYPZNPQR-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide (CID 22206049) is N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)cc2OC(F)F)c(OC)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is YWSZCXTYPZNPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO5S/c1-10-4-6-12(13(8-10)24-16(17)18)19-25(20,21)15-7-5-11(22-2)9-14(15)23-3/h4-9,16,19H,1-3H3.
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 373.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22206049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).