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

C16H18FNO5S — CID 100543133

IUPACN-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO5S/c1-18(14-9-11(21-2)5-7-16(14)23-4)24(19,20)12-6-8-15(22-3)13(17)10-12/h5-10H,1-4H3
InChIKeyUDDMZKZADACBNU-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.68
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 100543133) has the molecular formula C16H18FNO5S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
PubChem CID100543133
Molecular FormulaC16H18FNO5S
Molecular Weight355.39 g/mol
Exact Mass355.09
IUPAC NameN-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO5S/c1-18(14-9-11(21-2)5-7-16(14)23-4)24(19,20)12-6-8-15(22-3)13(17)10-12/h5-10H,1-4H3
InChIKeyUDDMZKZADACBNU-UHFFFAOYSA-N
XLogP2.68
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43574658
N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548596
3-fluoro-4-methoxy-N-methyl-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 154771851
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide (CID 100543133) is N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is UDDMZKZADACBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S/c1-18(14-9-11(21-2)5-7-16(14)23-4)24(19,20)12-6-8-15(22-3)13(17)10-12/h5-10H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide?
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 100543133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).