N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide

C16H18FNO3S — CID 28958747

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO3S/c1-11-10-15(8-9-16(11)21-3)22(19,20)18-12(2)13-4-6-14(17)7-5-13/h4-10,12,18H,1-3H3/t12-/m0/s1
InChIKeyYIFMKFMQLDHUTI-LBPRGKRZSA-N
MW323.39 g/mol
LogP3.18
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 28958747) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID28958747
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO3S/c1-11-10-15(8-9-16(11)21-3)22(19,20)18-12(2)13-4-6-14(17)7-5-13/h4-10,12,18H,1-3H3/t12-/m0/s1
InChIKeyYIFMKFMQLDHUTI-LBPRGKRZSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 43874224
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide (CID 28958747) is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is YIFMKFMQLDHUTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-11-10-15(8-9-16(11)21-3)22(19,20)18-12(2)13-4-6-14(17)7-5-13/h4-10,12,18H,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 28958747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).