3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride

C12H13ClFNO3S — CID 114107923

IUPAC3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
SMILESCCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16)
InChIKeyHUBTWFBSOGGYHR-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.28
Rot. Bonds4

About 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride

3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride (PubChem CID 114107923) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
PubChem CID114107923
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
SMILESCCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16)
InChIKeyHUBTWFBSOGGYHR-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride (CID 114107923) is 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride is CCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The InChIKey is HUBTWFBSOGGYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16).
What are the key properties of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 114107923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).