4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

C10H14FNO3S — CID 22711713

IUPAC4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-8(7-13)12(2)16(14,15)10-5-3-9(11)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyKOPOHZKJDDLDGN-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.83
Rot. Bonds4

About 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 22711713) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID22711713
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-8(7-13)12(2)16(14,15)10-5-3-9(11)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyKOPOHZKJDDLDGN-UHFFFAOYSA-N
XLogP0.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (CID 22711713) is 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is CC(CO)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is KOPOHZKJDDLDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-8(7-13)12(2)16(14,15)10-5-3-9(11)4-6-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 22711713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).