4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide

C9H12FNO3S — CID 850123

IUPAC4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C9H12FNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3
InChIKeyUTUKHBAKZVZBRM-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.08
Rot. Bonds3

About 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide

4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 850123) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID850123
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C9H12FNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3
InChIKeyUTUKHBAKZVZBRM-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxybenzenesulfonamide
CID 70789
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
3-Methoxybenzene-1-sulfonamide
CID 14763060
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-Methoxy-N-methylbenzenesulfonamide
CID 2497429
5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
3-Methoxybenzenesulfonyl chloride
CID 2737504
2-Methoxybenzene-1-sulfonamide
CID 4739144
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide
CID 71677774
4-(4-Fluoro-3-methoxyphenyl)sulfonylmorpholine
CID 655210

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide (CID 850123) is 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide is COc1cc(S(=O)(=O)N(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is UTUKHBAKZVZBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3.
What are the key properties of 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide?
4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 850123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).