2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide

C11H14FN3O4S — CID 63297857

IUPAC2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4S/c1-14(9-4-5-13-7-9)20(18,19)11-3-2-8(15(16)17)6-10(11)12/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyAXERHJQRPCTSCT-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.72
Rot. Bonds4

About 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide

2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63297857) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63297857
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4S/c1-14(9-4-5-13-7-9)20(18,19)11-3-2-8(15(16)17)6-10(11)12/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyAXERHJQRPCTSCT-UHFFFAOYSA-N
XLogP0.72
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.72
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 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide 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

N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596
2-chloro-N-methyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 43606930
4-bromo-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978996
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 66185246
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63297857) is 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is AXERHJQRPCTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c1-14(9-4-5-13-7-9)20(18,19)11-3-2-8(15(16)17)6-10(11)12/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide?
2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 303.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63297857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).