N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide

C10H14FNO3S — CID 60681417

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-12(16(3,13)14)7-8-4-5-10(15-2)9(11)6-8/h4-6H,7H2,1-3H3
InChIKeyUVMWVRDJMVRXJS-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.23
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 60681417) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
PubChem CID60681417
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-12(16(3,13)14)7-8-4-5-10(15-2)9(11)6-8/h4-6H,7H2,1-3H3
InChIKeyUVMWVRDJMVRXJS-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421973
(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
CID 35311721
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide (CID 60681417) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide is COc1ccc(CN(C)S(C)(=O)=O)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is UVMWVRDJMVRXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-12(16(3,13)14)7-8-4-5-10(15-2)9(11)6-8/h4-6H,7H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 60681417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).