N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide

C23H24FNO4S — CID 71945528

IUPACN-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(OCC(O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24FNO4S/c1-17-3-11-22(12-4-17)29-16-21(26)15-25(20-9-7-19(24)8-10-20)30(27,28)23-13-5-18(2)6-14-23/h3-14,21,26H,15-16H2,1-2H3
InChIKeyXYGHEUAWHYVGQT-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.08
Rot. Bonds8

About N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide

N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide (PubChem CID 71945528) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
PubChem CID71945528
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(OCC(O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24FNO4S/c1-17-3-11-22(12-4-17)29-16-21(26)15-25(20-9-7-19(24)8-10-20)30(27,28)23-13-5-18(2)6-14-23/h3-14,21,26H,15-16H2,1-2H3
InChIKeyXYGHEUAWHYVGQT-UHFFFAOYSA-N
XLogP4.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propoxy]phenoxy]propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 99674364
N-[4-[(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propoxy]phenyl]-N-methylacetamide
CID 2140050
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
CID 71945504
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 16801002
[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dipropylazanium
CID 4279292
N-(4-fluorophenyl)-N-(2-hydroxy-3-piperazin-1-ylpropyl)-4-methylbenzenesulfonamide;oxalic acid
CID 45283692
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433928

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide (CID 71945528) is N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide is Cc1ccc(OCC(O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide?
The InChIKey is XYGHEUAWHYVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-17-3-11-22(12-4-17)29-16-21(26)15-25(20-9-7-19(24)8-10-20)30(27,28)23-13-5-18(2)6-14-23/h3-14,21,26H,15-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide?
N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71945528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).