N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide

C7H7F2NO3S — CID 118238808

IUPACN-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide
SMILESCS(=O)(=O)N(O)c1cc(F)ccc1F
InChIInChI=1S/C7H7F2NO3S/c1-14(12,13)10(11)7-4-5(8)2-3-6(7)9/h2-4,11H,1H3
InChIKeyTXOCFLZECPQWAX-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.12
Rot. Bonds2

About N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide

N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide (PubChem CID 118238808) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide
PubChem CID118238808
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC NameN-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide
SMILESCS(=O)(=O)N(O)c1cc(F)ccc1F
InChIInChI=1S/C7H7F2NO3S/c1-14(12,13)10(11)7-4-5(8)2-3-6(7)9/h2-4,11H,1H3
InChIKeyTXOCFLZECPQWAX-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide (CID 118238808) is N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide is CS(=O)(=O)N(O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide?
The InChIKey is TXOCFLZECPQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-14(12,13)10(11)7-4-5(8)2-3-6(7)9/h2-4,11H,1H3.
What are the key properties of N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide?
N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide has a molecular weight of 223.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide is sourced from PubChem (CID 118238808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).