N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide

C18H22FNO4S — CID 110665841

IUPACN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)20-12-11-18(21)14-3-5-15(19)6-4-14/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyHZQLMVJSHYKNOQ-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.01
Rot. Bonds8

About N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide

N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110665841) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110665841
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)20-12-11-18(21)14-3-5-15(19)6-4-14/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyHZQLMVJSHYKNOQ-UHFFFAOYSA-N
XLogP3.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110665818
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide (CID 110665841) is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is HZQLMVJSHYKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-13(2)24-16-7-9-17(10-8-16)25(22,23)20-12-11-18(21)14-3-5-15(19)6-4-14/h3-10,13,18,20-21H,11-12H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide?
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110665841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).