(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride

C11H10FNO3S — CID 172561692

IUPAC(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1c(CO)[nH]c2ccccc12
InChIInChI=1S/C11H10FNO3S/c12-17(15,16)6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-6,13-14H,7H2/b6-5+
InChIKeyRRAYQLZMNKWNIC-AATRIKPKSA-N
MW255.27 g/mol
LogP1.93
Rot. Bonds3

About (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride

(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride (PubChem CID 172561692) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride
PubChem CID172561692
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1c(CO)[nH]c2ccccc12
InChIInChI=1S/C11H10FNO3S/c12-17(15,16)6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-6,13-14H,7H2/b6-5+
InChIKeyRRAYQLZMNKWNIC-AATRIKPKSA-N
XLogP1.93
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride?
The IUPAC name of (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride (CID 172561692) is (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1c(CO)[nH]c2ccccc12.
What is the InChIKey of (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride?
The InChIKey is RRAYQLZMNKWNIC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H10FNO3S/c12-17(15,16)6-5-9-8-3-1-2-4-10(8)13-11(9)7-14/h1-6,13-14H,7H2/b6-5+.
What are the key properties of (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride?
(E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride has a molecular weight of 255.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(hydroxymethyl)-1H-indol-3-yl]ethenesulfonyl fluoride is sourced from PubChem (CID 172561692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).