N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H16FNO3S — CID 2236619

IUPACN-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C15H16FNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3
InChIKeyYETZNPBVZWTHHB-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds4

About N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 2236619) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID2236619
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C15H16FNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3
InChIKeyYETZNPBVZWTHHB-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121149565
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 2236619) is N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C.
What is the InChIKey of N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is YETZNPBVZWTHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3.
What are the key properties of N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2236619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).