N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide

C10H14FNO3S — CID 47013228

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(C(C)NS(C)(=O)=O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-7(12-16(3,13)14)8-4-5-10(15-2)9(11)6-8/h4-7,12H,1-3H3
InChIKeyYNCVSVYDAGKXBX-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.44
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 47013228) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID47013228
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(C(C)NS(C)(=O)=O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-7(12-16(3,13)14)8-4-5-10(15-2)9(11)6-8/h4-7,12H,1-3H3
InChIKeyYNCVSVYDAGKXBX-UHFFFAOYSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 47084855
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]azepane-1-sulfonamide
CID 18148519
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide (CID 47013228) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide is COc1ccc(C(C)NS(C)(=O)=O)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is YNCVSVYDAGKXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-7(12-16(3,13)14)8-4-5-10(15-2)9(11)6-8/h4-7,12H,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 47013228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).