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

C17H20FNO4S — CID 71945504

IUPACN-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
SMILESCc1cccc(OCC(O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20FNO4S/c1-13-4-3-5-17(10-13)23-12-16(20)11-19(24(2,21)22)15-8-6-14(18)7-9-15/h3-10,16,20H,11-12H2,1-2H3
InChIKeyPWPWSQQGCFDNSE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.34
Rot. Bonds7

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

N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide (PubChem CID 71945504) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
PubChem CID71945504
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC NameN-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
SMILESCc1cccc(OCC(O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20FNO4S/c1-13-4-3-5-17(10-13)23-12-16(20)11-19(24(2,21)22)15-8-6-14(18)7-9-15/h3-10,16,20H,11-12H2,1-2H3
InChIKeyPWPWSQQGCFDNSE-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528
1-(3-methylphenoxy)butan-2-ol
CID 13089920
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
CID 3157264
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
CID 110882260
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 27371013
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 47561427
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide (CID 71945504) is N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide is Cc1cccc(OCC(O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide?
The InChIKey is PWPWSQQGCFDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-13-4-3-5-17(10-13)23-12-16(20)11-19(24(2,21)22)15-8-6-14(18)7-9-15/h3-10,16,20H,11-12H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide?
N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.34, 7 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-(3-methylphenoxy)propyl]methanesulfonamide is sourced from PubChem (CID 71945504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).