4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide

C16H17F2NO3S — CID 110291434

IUPAC4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C16H17F2NO3S/c1-11-9-14(7-8-15(11)18)23(21,22)19-10-16(2,20)12-3-5-13(17)6-4-12/h3-9,19-20H,10H2,1-2H3
InChIKeyTVGWMWHGIGEDCV-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.46
Rot. Bonds5

About 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide (PubChem CID 110291434) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
PubChem CID110291434
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C16H17F2NO3S/c1-11-9-14(7-8-15(11)18)23(21,22)19-10-16(2,20)12-3-5-13(17)6-4-12/h3-9,19-20H,10H2,1-2H3
InChIKeyTVGWMWHGIGEDCV-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 90497781
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide (CID 110291434) is 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(O)c2ccc(F)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The InChIKey is TVGWMWHGIGEDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-11-9-14(7-8-15(11)18)23(21,22)19-10-16(2,20)12-3-5-13(17)6-4-12/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110291434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).