4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide

C16H18FNO3S — CID 71782271

IUPAC4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(O)c2ccccc2)ccc1F
InChIInChI=1S/C16H18FNO3S/c1-12-11-14(7-8-15(12)17)22(20,21)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,16,18-19H,9-10H2,1H3
InChIKeyVLINQYQPSLCHEQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.54
Rot. Bonds6

About 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide

4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide (PubChem CID 71782271) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
PubChem CID71782271
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(O)c2ccccc2)ccc1F
InChIInChI=1S/C16H18FNO3S/c1-12-11-14(7-8-15(12)17)22(20,21)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,16,18-19H,9-10H2,1H3
InChIKeyVLINQYQPSLCHEQ-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 90496301
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
CID 99784775
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97331122
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide (CID 71782271) is 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCC(O)c2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide?
The InChIKey is VLINQYQPSLCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-11-14(7-8-15(12)17)22(20,21)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,16,18-19H,9-10H2,1H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide?
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 71782271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).