4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide

C10H14FNO3S — CID 15944544

IUPAC4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H14FNO3S/c1-8-7-9(11)3-4-10(8)16(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyGMDYFLZOPQLNST-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.79
Rot. Bonds5

About 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide

4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide (PubChem CID 15944544) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
PubChem CID15944544
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H14FNO3S/c1-8-7-9(11)3-4-10(8)16(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyGMDYFLZOPQLNST-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide (CID 15944544) is 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCCO.
What is the InChIKey of 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is GMDYFLZOPQLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-8-7-9(11)3-4-10(8)16(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide?
4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 15944544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).