4-(dimethylamino)-N-nitrobenzenesulfonamide

C8H11N3O4S — CID 127052811

IUPAC4-(dimethylamino)-N-nitrobenzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N[N+](=O)[O-])cc1
InChIInChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3
InChIKeyMFSGHOZRLKMKMG-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.22
Rot. Bonds4

About 4-(dimethylamino)-N-nitrobenzenesulfonamide

4-(dimethylamino)-N-nitrobenzenesulfonamide (PubChem CID 127052811) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(dimethylamino)-N-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-nitrobenzenesulfonamide
PubChem CID127052811
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name4-(dimethylamino)-N-nitrobenzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N[N+](=O)[O-])cc1
InChIInChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3
InChIKeyMFSGHOZRLKMKMG-UHFFFAOYSA-N
XLogP0.22
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-nitrobenzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-nitrobenzenesulfonamide (CID 127052811) is 4-(dimethylamino)-N-nitrobenzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-nitrobenzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-nitrobenzenesulfonamide is CN(C)c1ccc(S(=O)(=O)N[N+](=O)[O-])cc1.
What is the InChIKey of 4-(dimethylamino)-N-nitrobenzenesulfonamide?
The InChIKey is MFSGHOZRLKMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6,9H,1-2H3.
What are the key properties of 4-(dimethylamino)-N-nitrobenzenesulfonamide?
4-(dimethylamino)-N-nitrobenzenesulfonamide has a molecular weight of 245.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-nitrobenzenesulfonamide is sourced from PubChem (CID 127052811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).