4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide

C9H12FN3O3S — CID 88875969

IUPAC4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N=O)c(N(C)C)cc1F
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)9-5-7(12-14)8(13(2)3)4-6(9)10/h4-5,11H,1-3H3
InChIKeyIRRRVAKZHGPLPE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.20
Rot. Bonds4

About 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide

4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide (PubChem CID 88875969) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide
PubChem CID88875969
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N=O)c(N(C)C)cc1F
InChIInChI=1S/C9H12FN3O3S/c1-11-17(15,16)9-5-7(12-14)8(13(2)3)4-6(9)10/h4-5,11H,1-3H3
InChIKeyIRRRVAKZHGPLPE-UHFFFAOYSA-N
XLogP1.20
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide (CID 88875969) is 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide is CNS(=O)(=O)c1cc(N=O)c(N(C)C)cc1F.
What is the InChIKey of 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide?
The InChIKey is IRRRVAKZHGPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-11-17(15,16)9-5-7(12-14)8(13(2)3)4-6(9)10/h4-5,11H,1-3H3.
What are the key properties of 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide?
4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide has a molecular weight of 261.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluoro-N-methyl-5-nitrosobenzenesulfonamide is sourced from PubChem (CID 88875969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).