4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide

C18H22FNO4S — CID 95983001

IUPAC4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C18H22FNO4S/c1-13-10-15(19)6-9-17(13)25(22,23)20-12-18(2,21)11-14-4-7-16(24-3)8-5-14/h4-10,20-21H,11-12H2,1-3H3/t18-/m1/s1
InChIKeySRHRDMZYJBNFKM-GOSISDBHSA-N
MW367.44 g/mol
LogP2.41
Rot. Bonds7

About 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide

4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide (PubChem CID 95983001) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
PubChem CID95983001
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC Name4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C18H22FNO4S/c1-13-10-15(19)6-9-17(13)25(22,23)20-12-18(2,21)11-14-4-7-16(24-3)8-5-14/h4-10,20-21H,11-12H2,1-3H3/t18-/m1/s1
InChIKeySRHRDMZYJBNFKM-GOSISDBHSA-N
XLogP2.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71782074
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
4-methoxy-2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95376544
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 90498317

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide (CID 95983001) is 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide is COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc(F)cc2C)cc1.
What is the InChIKey of 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide?
The InChIKey is SRHRDMZYJBNFKM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-13-10-15(19)6-9-17(13)25(22,23)20-12-18(2,21)11-14-4-7-16(24-3)8-5-14/h4-10,20-21H,11-12H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 95983001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).