N,4-dimethyl-N-nitrosobenzenesulfonamide

C8H10N2O3S — CID 6628

IUPACN,4-dimethyl-N-nitrosobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)N=O)cc1
InChIInChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
InChIKeyFFKZOUIEAHOBHW-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.30
Rot. Bonds3

About N,4-dimethyl-N-nitrosobenzenesulfonamide

N,4-dimethyl-N-nitrosobenzenesulfonamide (PubChem CID 6628) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N,4-dimethyl-N-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-nitrosobenzenesulfonamide
PubChem CID6628
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN,4-dimethyl-N-nitrosobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)N=O)cc1
InChIInChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
InChIKeyFFKZOUIEAHOBHW-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

P-Toluenesulfonamide
CID 6269
Chloramine-T
CID 3641960
2-Methylbenzenesulfonamide
CID 6924
chloramine-T trihydrate
CID 517414
Methyl p-toluenesulfonate
CID 6645
p-Toluenesulfonyl isocyanate
CID 77703
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
Toluenesulfonamide formaldehyde resin
CID 159985
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
P-Toluenesulfonylhydrazide
CID 15303
N-Butyl-p-toluenesulfonamide
CID 61285

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-nitrosobenzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-nitrosobenzenesulfonamide (CID 6628) is N,4-dimethyl-N-nitrosobenzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-nitrosobenzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-nitrosobenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)N=O)cc1.
What is the InChIKey of N,4-dimethyl-N-nitrosobenzenesulfonamide?
The InChIKey is FFKZOUIEAHOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3.
What are the key properties of N,4-dimethyl-N-nitrosobenzenesulfonamide?
N,4-dimethyl-N-nitrosobenzenesulfonamide has a molecular weight of 214.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-nitrosobenzenesulfonamide is sourced from PubChem (CID 6628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).