N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide

C8H9FN2O4S — CID 163387289

IUPACN-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
SMILESCN(c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O
InChIInChI=1S/C8H9FN2O4S/c1-10(16(2,14)15)8-6(9)4-3-5-7(8)11(12)13/h3-5H,1-2H3
InChIKeyNHVOPIGXENUTCG-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.13
Rot. Bonds3

About N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide

N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide (PubChem CID 163387289) has the molecular formula C8H9FN2O4S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
PubChem CID163387289
Molecular FormulaC8H9FN2O4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC NameN-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
SMILESCN(c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O
InChIInChI=1S/C8H9FN2O4S/c1-10(16(2,14)15)8-6(9)4-3-5-7(8)11(12)13/h3-5H,1-2H3
InChIKeyNHVOPIGXENUTCG-UHFFFAOYSA-N
XLogP1.13
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
tert-butyl N-(2-fluoro-6-nitrophenyl)-N-methylcarbamate
CID 171544361
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
CID 164822565
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide (CID 163387289) is N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide is CN(c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O.
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide?
The InChIKey is NHVOPIGXENUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4S/c1-10(16(2,14)15)8-6(9)4-3-5-7(8)11(12)13/h3-5H,1-2H3.
What are the key properties of N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide?
N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide has a molecular weight of 248.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 163387289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).