2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide

C14H13F2NO3S — CID 43508632

IUPAC2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCC(O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-9,17-18H,1H3
InChIKeyUWCFZOHZWFFPNN-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.82
Rot. Bonds4

About 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 43508632) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID43508632
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCC(O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-9,17-18H,1H3
InChIKeyUWCFZOHZWFFPNN-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide (CID 43508632) is 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide is CC(O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is UWCFZOHZWFFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-8-11(15)5-6-13(14)16/h2-9,17-18H,1H3.
What are the key properties of 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43508632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).