N,N-dimethyl-3-nitrosobenzenesulfonamide

C8H10N2O3S — CID 146930978

IUPACN,N-dimethyl-3-nitrosobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N=O)c1
InChIInChI=1S/C8H10N2O3S/c1-10(2)14(12,13)8-5-3-4-7(6-8)9-11/h3-6H,1-2H3
InChIKeyAEZZBJQJNRWMLV-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.33
Rot. Bonds3

About N,N-dimethyl-3-nitrosobenzenesulfonamide

N,N-dimethyl-3-nitrosobenzenesulfonamide (PubChem CID 146930978) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N,N-dimethyl-3-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-nitrosobenzenesulfonamide
PubChem CID146930978
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN,N-dimethyl-3-nitrosobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N=O)c1
InChIInChI=1S/C8H10N2O3S/c1-10(2)14(12,13)8-5-3-4-7(6-8)9-11/h3-6H,1-2H3
InChIKeyAEZZBJQJNRWMLV-UHFFFAOYSA-N
XLogP1.33
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
CID 89277792
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
[3-(dimethylsulfamoyl)phenyl]-methylborinic acid;ethane
CID 144646881
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-nitrosobenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-nitrosobenzenesulfonamide (CID 146930978) is N,N-dimethyl-3-nitrosobenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-nitrosobenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-nitrosobenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(N=O)c1.
What is the InChIKey of N,N-dimethyl-3-nitrosobenzenesulfonamide?
The InChIKey is AEZZBJQJNRWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-10(2)14(12,13)8-5-3-4-7(6-8)9-11/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-3-nitrosobenzenesulfonamide?
N,N-dimethyl-3-nitrosobenzenesulfonamide has a molecular weight of 214.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-nitrosobenzenesulfonamide is sourced from PubChem (CID 146930978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).