N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide

C15H15F2NO4S — CID 60520911

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1CO
InChIInChI=1S/C15H15F2NO4S/c1-2-22-14-7-6-11(8-10(14)9-19)18-23(20,21)15-12(16)4-3-5-13(15)17/h3-8,18-19H,2,9H2,1H3
InChIKeyUMIWKVHTIWEHDY-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.66
Rot. Bonds6

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 60520911) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
PubChem CID60520911
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1CO
InChIInChI=1S/C15H15F2NO4S/c1-2-22-14-7-6-11(8-10(14)9-19)18-23(20,21)15-12(16)4-3-5-13(15)17/h3-8,18-19H,2,9H2,1H3
InChIKeyUMIWKVHTIWEHDY-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
CID 47059390
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523
2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
CID 75901404
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide (CID 60520911) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is UMIWKVHTIWEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-2-22-14-7-6-11(8-10(14)9-19)18-23(20,21)15-12(16)4-3-5-13(15)17/h3-8,18-19H,2,9H2,1H3.
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 343.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 60520911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).