3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

C19H20FN3O3S — CID 7307545

IUPAC3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F
InChIInChI=1S/C19H20FN3O3S/c1-3-26-19-12-17(8-9-18(19)20)27(24,25)22-14(2)15-4-6-16(7-5-15)23-11-10-21-13-23/h4-14,22H,3H2,1-2H3/t14-/m0/s1
InChIKeyQVEBXJTZIXTYEU-AWEZNQCLSA-N
MW389.45 g/mol
LogP3.45
Rot. Bonds7

About 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 7307545) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID7307545
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F
InChIInChI=1S/C19H20FN3O3S/c1-3-26-19-12-17(8-9-18(19)20)27(24,25)22-14(2)15-4-6-16(7-5-15)23-11-10-21-13-23/h4-14,22H,3H2,1-2H3/t14-/m0/s1
InChIKeyQVEBXJTZIXTYEU-AWEZNQCLSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 40663815
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 7306030
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (CID 7307545) is 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is CCOc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is QVEBXJTZIXTYEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-3-26-19-12-17(8-9-18(19)20)27(24,25)22-14(2)15-4-6-16(7-5-15)23-11-10-21-13-23/h4-14,22H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7307545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).