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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Related Compounds

N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
CID 171399333
(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424666
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
4-chloro-N-(2,5-difluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 57031982
4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 22275591
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
bis(2,5-difluorophenyl)methanedisulfonic acid
CID 90187825
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
5-chloro-N-(2,5-difluorophenyl)-N-methyl-1-oxidopyridin-1-ium-2-sulfonamide
CID 14097767
3-[2,5-difluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319387
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
CID 115160992

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).