N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide

C11H15N3O4S — CID 4780147

IUPACN-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4S/c1-12-19(17,18)9-4-5-10(11(8-9)14(15)16)13-6-2-3-7-13/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyRVNOLNRQEIEEAT-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.10
Rot. Bonds4

About N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide

N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 4780147) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID4780147
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4S/c1-12-19(17,18)9-4-5-10(11(8-9)14(15)16)13-6-2-3-7-13/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyRVNOLNRQEIEEAT-UHFFFAOYSA-N
XLogP1.10
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide 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 N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide (CID 4780147) is N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is RVNOLNRQEIEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-12-19(17,18)9-4-5-10(11(8-9)14(15)16)13-6-2-3-7-13/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide?
N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 4780147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).