N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide

C16H18FNO3S — CID 94622646

IUPACN-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FNO3S/c1-11-5-6-12(2)15(9-11)18(3)22(19,20)13-7-8-16(21-4)14(17)10-13/h5-10H,1-4H3
InChIKeyWQBVZCKEIKDPPA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.28
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide

N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 94622646) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
PubChem CID94622646
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FNO3S/c1-11-5-6-12(2)15(9-11)18(3)22(19,20)13-7-8-16(21-4)14(17)10-13/h5-10H,1-4H3
InChIKeyWQBVZCKEIKDPPA-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
N-(2,4-dimethylphenyl)-N-ethyl-3-fluoro-4-methoxybenzenesulfonamide
CID 94622875
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
methyl 3-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-4-methylbenzoate
CID 100513252
N-(2,5-dimethylphenyl)-4-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 10455978
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 81440430
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
CID 55510143

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (CID 94622646) is N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1F.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is WQBVZCKEIKDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-11-5-6-12(2)15(9-11)18(3)22(19,20)13-7-8-16(21-4)14(17)10-13/h5-10H,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 94622646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).