4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide

C15H16FNO3S — CID 935410

IUPAC4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h3-11,17H,1-2H3/t11-/m0/s1
InChIKeyZRIBONRSHGYIEA-NSHDSACASA-N
MW309.36 g/mol
LogP2.87
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 935410) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID935410
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h3-11,17H,1-2H3/t11-/m0/s1
InChIKeyZRIBONRSHGYIEA-NSHDSACASA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 935410) is 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is COc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ZRIBONRSHGYIEA-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h3-11,17H,1-2H3/t11-/m0/s1.
What are the key properties of 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 935410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).