N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C14H13F2NO3S — CID 103223870

IUPACN-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(15)6-7-13(14)16/h3-9,18H,2H2,1H3
InChIKeyQQVPJGVNEVQAQC-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.89
Rot. Bonds4

About N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide

N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 103223870) has the molecular formula C14H13F2NO3S and a molecular weight of 313.32 g/mol. Its IUPAC name is N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID103223870
Molecular FormulaC14H13F2NO3S
Molecular Weight313.32 g/mol
Exact Mass313.06
IUPAC NameN-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(15)6-7-13(14)16/h3-9,18H,2H2,1H3
InChIKeyQQVPJGVNEVQAQC-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
CID 103223846
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 103223870) is N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is QQVPJGVNEVQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(15)6-7-13(14)16/h3-9,18H,2H2,1H3.
What are the key properties of N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 313.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103223870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).