4-fluoro-N-methyl-3-nitrosobenzenesulfonamide

C7H7FN2O3S — CID 88876048

IUPAC4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(N=O)c1
InChIInChI=1S/C7H7FN2O3S/c1-9-14(12,13)5-2-3-6(8)7(4-5)10-11/h2-4,9H,1H3
InChIKeyCCWIWOBUEKKVTB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.13
Rot. Bonds3

About 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide

4-fluoro-N-methyl-3-nitrosobenzenesulfonamide (PubChem CID 88876048) has the molecular formula C7H7FN2O3S and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
PubChem CID88876048
Molecular FormulaC7H7FN2O3S
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Name4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(N=O)c1
InChIInChI=1S/C7H7FN2O3S/c1-9-14(12,13)5-2-3-6(8)7(4-5)10-11/h2-4,9H,1H3
InChIKeyCCWIWOBUEKKVTB-UHFFFAOYSA-N
XLogP1.13
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-diazo-4-fluoro-3-nitrosobenzenesulfonamide
CID 88935009
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 125498168
4-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide
CID 88875969
butyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18169512
3-amino-4-(2,5-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449169
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
2,3-difluoro-5-(methylsulfamoyl)benzoic acid
CID 68839247
3-chloro-N-methyl-5-nitrosobenzenesulfonamide
CID 89308424

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide (CID 88876048) is 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(N=O)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide?
The InChIKey is CCWIWOBUEKKVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3S/c1-9-14(12,13)5-2-3-6(8)7(4-5)10-11/h2-4,9H,1H3.
What are the key properties of 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide?
4-fluoro-N-methyl-3-nitrosobenzenesulfonamide has a molecular weight of 218.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-nitrosobenzenesulfonamide is sourced from PubChem (CID 88876048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).