4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide

C22H22FNO3S — CID 121085734

IUPAC4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)ccc1F
InChIInChI=1S/C22H22FNO3S/c1-16-14-20(12-13-21(16)23)28(26,27)24-15-22(2,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,24-25H,15H2,1-2H3
InChIKeyJRCSSLOGXIYJMY-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.99
Rot. Bonds6

About 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide (PubChem CID 121085734) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
PubChem CID121085734
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC Name4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)ccc1F
InChIInChI=1S/C22H22FNO3S/c1-16-14-20(12-13-21(16)23)28(26,27)24-15-22(2,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,24-25H,15H2,1-2H3
InChIKeyJRCSSLOGXIYJMY-UHFFFAOYSA-N
XLogP3.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide (CID 121085734) is 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide?
The InChIKey is JRCSSLOGXIYJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3S/c1-16-14-20(12-13-21(16)23)28(26,27)24-15-22(2,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,24-25H,15H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 121085734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).