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

C9H14FN3O4S2 — CID 114175137

IUPACN-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-2-12-18(14,15)7-6-13-19(16,17)9-8(10)4-3-5-11-9/h3-5,12-13H,2,6-7H2,1H3
InChIKeyLWYHDVDIXNJKBM-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.56
Rot. Bonds7

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

N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 114175137) has the molecular formula C9H14FN3O4S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
PubChem CID114175137
Molecular FormulaC9H14FN3O4S2
Molecular Weight311.36 g/mol
Exact Mass311.04
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-2-12-18(14,15)7-6-13-19(16,17)9-8(10)4-3-5-11-9/h3-5,12-13H,2,6-7H2,1H3
InChIKeyLWYHDVDIXNJKBM-UHFFFAOYSA-N
XLogP-0.56
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-sulfonamide
CID 106342302
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 106340166
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
CID 103299367

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide (CID 114175137) is N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is LWYHDVDIXNJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O4S2/c1-2-12-18(14,15)7-6-13-19(16,17)9-8(10)4-3-5-11-9/h3-5,12-13H,2,6-7H2,1H3.
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide?
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 114175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).