N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

C14H13F2NO3S — CID 900628

IUPACN-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C14H13F2NO3S/c1-9-7-11(4-6-14(9)20-2)21(18,19)17-13-5-3-10(15)8-12(13)16/h3-8,17H,1-2H3
InChIKeyRFEWYPIVTPISEC-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.08
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 900628) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID900628
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C14H13F2NO3S/c1-9-7-11(4-6-14(9)20-2)21(18,19)17-13-5-3-10(15)8-12(13)16/h3-8,17H,1-2H3
InChIKeyRFEWYPIVTPISEC-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 900628) is N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is RFEWYPIVTPISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-7-11(4-6-14(9)20-2)21(18,19)17-13-5-3-10(15)8-12(13)16/h3-8,17H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 900628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).