N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide

C14H22FNO4S — CID 81427215

IUPACN-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cc(C)c(F)c(CO)c1
InChIInChI=1S/C14H22FNO4S/c1-4-16(6-7-20-5-2)21(18,19)13-8-11(3)14(15)12(9-13)10-17/h8-9,17H,4-7,10H2,1-3H3
InChIKeyWFQKNOOOSLYWBA-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.67
Rot. Bonds8

About N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide

N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide (PubChem CID 81427215) has the molecular formula C14H22FNO4S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
PubChem CID81427215
Molecular FormulaC14H22FNO4S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cc(C)c(F)c(CO)c1
InChIInChI=1S/C14H22FNO4S/c1-4-16(6-7-20-5-2)21(18,19)13-8-11(3)14(15)12(9-13)10-17/h8-9,17H,4-7,10H2,1-3H3
InChIKeyWFQKNOOOSLYWBA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 81450839
N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
CID 81427065
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 81435406
N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81427216
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 81434620
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112666946
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
3-(aminomethyl)-4-fluoro-5-methyl-N,N-dipropylbenzenesulfonamide
CID 81435108
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
N-(cyclopropylmethyl)-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81434987
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82847137
N-ethyl-4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 81427608

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide (CID 81427215) is N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1cc(C)c(F)c(CO)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide?
The InChIKey is WFQKNOOOSLYWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4S/c1-4-16(6-7-20-5-2)21(18,19)13-8-11(3)14(15)12(9-13)10-17/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide?
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 81427215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).