4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

C10H14FNO3S — CID 107326821

IUPAC4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCO
InChIInChI=1S/C10H14FNO3S/c1-7-5-9(11)6-8(2)10(7)16(14,15)12-3-4-13/h5-6,12-13H,3-4H2,1-2H3
InChIKeyLXKRBLDRNVSJDW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.71
Rot. Bonds4

About 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107326821) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107326821
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCO
InChIInChI=1S/C10H14FNO3S/c1-7-5-9(11)6-8(2)10(7)16(14,15)12-3-4-13/h5-6,12-13H,3-4H2,1-2H3
InChIKeyLXKRBLDRNVSJDW-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (CID 107326821) is 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCCO.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is LXKRBLDRNVSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-7-5-9(11)6-8(2)10(7)16(14,15)12-3-4-13/h5-6,12-13H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).