3-(ethylcarbamoylamino)benzenesulfonyl fluoride

C9H11FN2O3S — CID 4609342

IUPAC3-(ethylcarbamoylamino)benzenesulfonyl fluoride
SMILESCCNC(=O)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C9H11FN2O3S/c1-2-11-9(13)12-7-4-3-5-8(6-7)16(10,14)15/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyYIBSPTHWFGXYIR-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.49
Rot. Bonds3

About 3-(ethylcarbamoylamino)benzenesulfonyl fluoride

3-(ethylcarbamoylamino)benzenesulfonyl fluoride (PubChem CID 4609342) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-(ethylcarbamoylamino)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(ethylcarbamoylamino)benzenesulfonyl fluoride
PubChem CID4609342
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name3-(ethylcarbamoylamino)benzenesulfonyl fluoride
SMILESCCNC(=O)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C9H11FN2O3S/c1-2-11-9(13)12-7-4-3-5-8(6-7)16(10,14)15/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyYIBSPTHWFGXYIR-UHFFFAOYSA-N
XLogP1.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylamino)benzenesulfonyl fluoride?
The IUPAC name of 3-(ethylcarbamoylamino)benzenesulfonyl fluoride (CID 4609342) is 3-(ethylcarbamoylamino)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(ethylcarbamoylamino)benzenesulfonyl fluoride?
The canonical SMILES for 3-(ethylcarbamoylamino)benzenesulfonyl fluoride is CCNC(=O)Nc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-(ethylcarbamoylamino)benzenesulfonyl fluoride?
The InChIKey is YIBSPTHWFGXYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-2-11-9(13)12-7-4-3-5-8(6-7)16(10,14)15/h3-6H,2H2,1H3,(H2,11,12,13).
What are the key properties of 3-(ethylcarbamoylamino)benzenesulfonyl fluoride?
3-(ethylcarbamoylamino)benzenesulfonyl fluoride has a molecular weight of 246.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylamino)benzenesulfonyl fluoride is sourced from PubChem (CID 4609342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).