N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide

C16H18FNO5S2 — CID 19422961

IUPACN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18FNO5S2/c1-24(20,21)13-9-7-12(8-10-13)16(19)15(11-17)18-25(22,23)14-5-3-2-4-6-14/h2-10,15-16,18-19H,11H2,1H3
InChIKeyLQWSITDXXQSKIP-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.44
Rot. Bonds7

About N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide

N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide (PubChem CID 19422961) has the molecular formula C16H18FNO5S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide
PubChem CID19422961
Molecular FormulaC16H18FNO5S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(C(O)C(CF)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18FNO5S2/c1-24(20,21)13-9-7-12(8-10-13)16(19)15(11-17)18-25(22,23)14-5-3-2-4-6-14/h2-10,15-16,18-19H,11H2,1H3
InChIKeyLQWSITDXXQSKIP-UHFFFAOYSA-N
XLogP1.44
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide (CID 19422961) is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(C(O)C(CF)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is LQWSITDXXQSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S2/c1-24(20,21)13-9-7-12(8-10-13)16(19)15(11-17)18-25(22,23)14-5-3-2-4-6-14/h2-10,15-16,18-19H,11H2,1H3.
What are the key properties of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide?
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 19422961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).