3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

C13H15FN2O4S — CID 75476762

IUPAC3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ncoc2C)c(C)c1F
InChIInChI=1S/C13H15FN2O4S/c1-8-12(5-4-11(19-3)13(8)14)21(17,18)16-6-10-9(2)20-7-15-10/h4-5,7,16H,6H2,1-3H3
InChIKeyYKWNCBGNMHPVCY-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.92
Rot. Bonds5

About 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 75476762) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID75476762
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ncoc2C)c(C)c1F
InChIInChI=1S/C13H15FN2O4S/c1-8-12(5-4-11(19-3)13(8)14)21(17,18)16-6-10-9(2)20-7-15-10/h4-5,7,16H,6H2,1-3H3
InChIKeyYKWNCBGNMHPVCY-UHFFFAOYSA-N
XLogP1.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
3-fluoro-4-methoxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzenesulfonamide
CID 75476752
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688
4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100761906
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 136558873
5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126854274
(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
CID 138991355
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018158
2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839309
2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719005

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 75476762) is 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ncoc2C)c(C)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is YKWNCBGNMHPVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-8-12(5-4-11(19-3)13(8)14)21(17,18)16-6-10-9(2)20-7-15-10/h4-5,7,16H,6H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 314.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75476762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).