2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide

C14H22FNO4S — CID 79178570

IUPAC2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H22FNO4S/c1-11(2)9-16(6-7-20-3)21(18,19)14-5-4-12(10-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyIMLXATSUBKDLEM-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.61
Rot. Bonds8

About 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide

2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 79178570) has the molecular formula C14H22FNO4S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID79178570
Molecular FormulaC14H22FNO4S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC Name2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H22FNO4S/c1-11(2)9-16(6-7-20-3)21(18,19)14-5-4-12(10-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyIMLXATSUBKDLEM-UHFFFAOYSA-N
XLogP1.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79186955
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
2-bromo-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82953173
[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005430
5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950189
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 79178570) is 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide is COCCN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is IMLXATSUBKDLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4S/c1-11(2)9-16(6-7-20-3)21(18,19)14-5-4-12(10-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79178570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).