N,N-dimethyl-4-nitrobenzenesulfonamide

C8H10N2O4S — CID 2747580

IUPACN,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3
InChIKeyZCWXRMBVAKOURU-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.85
Rot. Bonds3

About N,N-dimethyl-4-nitrobenzenesulfonamide

N,N-dimethyl-4-nitrobenzenesulfonamide (PubChem CID 2747580) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is N,N-dimethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-nitrobenzenesulfonamide
PubChem CID2747580
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC NameN,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3
InChIKeyZCWXRMBVAKOURU-UHFFFAOYSA-N
XLogP0.85
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-nitrobenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-nitrobenzenesulfonamide (CID 2747580) is N,N-dimethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-4-nitrobenzenesulfonamide?
The InChIKey is ZCWXRMBVAKOURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-nitrobenzenesulfonamide?
N,N-dimethyl-4-nitrobenzenesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 2747580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).