N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide

C13H13FN2O2S2 — CID 103299818

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cc2c(s1)CCC2)c1ncccc1F
InChIInChI=1S/C13H13FN2O2S2/c14-11-4-2-6-15-13(11)20(17,18)16-8-10-7-9-3-1-5-12(9)19-10/h2,4,6-7,16H,1,3,5,8H2
InChIKeyUSZCMORIHDIULK-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.25
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299818) has the molecular formula C13H13FN2O2S2 and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299818
Molecular FormulaC13H13FN2O2S2
Molecular Weight312.39 g/mol
Exact Mass312.04
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cc2c(s1)CCC2)c1ncccc1F
InChIInChI=1S/C13H13FN2O2S2/c14-11-4-2-6-15-13(11)20(17,18)16-8-10-7-9-3-1-5-12(9)19-10/h2,4,6-7,16H,1,3,5,8H2
InChIKeyUSZCMORIHDIULK-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
CID 61209157
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 61209155
N-[[3-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 103308357
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
CID 103299367
1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
CID 63666222
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61209154
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
CID 106194051
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61206682

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide (CID 103299818) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide is O=S(=O)(NCc1cc2c(s1)CCC2)c1ncccc1F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is USZCMORIHDIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S2/c14-11-4-2-6-15-13(11)20(17,18)16-8-10-7-9-3-1-5-12(9)19-10/h2,4,6-7,16H,1,3,5,8H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).