N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide

C9H14FN3O4S2 — CID 114175143

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-13(2)18(14,15)7-6-12-19(16,17)9-8(10)4-3-5-11-9/h3-5,12H,6-7H2,1-2H3
InChIKeyZVMSZJUCELNREN-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.61
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide

N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 114175143) has the molecular formula C9H14FN3O4S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
PubChem CID114175143
Molecular FormulaC9H14FN3O4S2
Molecular Weight311.36 g/mol
Exact Mass311.04
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-13(2)18(14,15)7-6-12-19(16,17)9-8(10)4-3-5-11-9/h3-5,12H,6-7H2,1-2H3
InChIKeyZVMSZJUCELNREN-UHFFFAOYSA-N
XLogP-0.61
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide 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-(dimethylsulfamoyl)ethyl]-3-hydrazinylpyridine-2-sulfonamide
CID 106340180
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
CID 114127258
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
CID 103299367
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide (CID 114175143) is N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is ZVMSZJUCELNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O4S2/c1-13(2)18(14,15)7-6-12-19(16,17)9-8(10)4-3-5-11-9/h3-5,12H,6-7H2,1-2H3.
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 114175143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).