N,2-dimethyl-4-nitrobenzenesulfonamide

C8H10N2O4S — CID 37477651

IUPACN,2-dimethyl-4-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O4S/c1-6-5-7(10(11)12)3-4-8(6)15(13,14)9-2/h3-5,9H,1-2H3
InChIKeyUQEWYFUVGJOBRZ-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.81
Rot. Bonds3

About N,2-dimethyl-4-nitrobenzenesulfonamide

N,2-dimethyl-4-nitrobenzenesulfonamide (PubChem CID 37477651) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is N,2-dimethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-4-nitrobenzenesulfonamide
PubChem CID37477651
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC NameN,2-dimethyl-4-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H10N2O4S/c1-6-5-7(10(11)12)3-4-8(6)15(13,14)9-2/h3-5,9H,1-2H3
InChIKeyUQEWYFUVGJOBRZ-UHFFFAOYSA-N
XLogP0.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
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'}

Analyze N,2-dimethyl-4-nitrobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119973287
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
azanium 2-methyl-4-nitrobenzenesulfonate
CID 163648407
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339
N-(1-amino-2-methylpropan-2-yl)-2-methyl-4-nitrobenzenesulfonamide
CID 63194182
2,2-dimethyl-N-(2-methyl-4-nitrophenyl)sulfonylpropanamide
CID 47295985
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241
methyl 2-methyl-4-nitrobenzenesulfonate
CID 163476043
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-nitrobenzenesulfonamide?
The IUPAC name of N,2-dimethyl-4-nitrobenzenesulfonamide (CID 37477651) is N,2-dimethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-4-nitrobenzenesulfonamide is CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N,2-dimethyl-4-nitrobenzenesulfonamide?
The InChIKey is UQEWYFUVGJOBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6-5-7(10(11)12)3-4-8(6)15(13,14)9-2/h3-5,9H,1-2H3.
What are the key properties of N,2-dimethyl-4-nitrobenzenesulfonamide?
N,2-dimethyl-4-nitrobenzenesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 37477651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).