3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide

C14H13ClFN3O2S — CID 126832327

IUPAC3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ncc2c(n1)CCC2)c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H13ClFN3O2S/c15-10-4-11(16)6-12(5-10)22(20,21)18-8-14-17-7-9-2-1-3-13(9)19-14/h4-7,18H,1-3,8H2
InChIKeyGIBOOATXNJKOCK-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide

3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide (PubChem CID 126832327) has the molecular formula C14H13ClFN3O2S and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide
PubChem CID126832327
Molecular FormulaC14H13ClFN3O2S
Molecular Weight341.80 g/mol
Exact Mass341.04
IUPAC Name3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ncc2c(n1)CCC2)c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H13ClFN3O2S/c15-10-4-11(16)6-12(5-10)22(20,21)18-8-14-17-7-9-2-1-3-13(9)19-14/h4-7,18H,1-3,8H2
InChIKeyGIBOOATXNJKOCK-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide (CID 126832327) is 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide is O=S(=O)(NCc1ncc2c(n1)CCC2)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide?
The InChIKey is GIBOOATXNJKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2S/c15-10-4-11(16)6-12(5-10)22(20,21)18-8-14-17-7-9-2-1-3-13(9)19-14/h4-7,18H,1-3,8H2.
What are the key properties of 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide?
3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide has a molecular weight of 341.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 126832327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).