[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate

C13H15ClFNO6S — CID 175015830

IUPAC[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
SMILESNC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CF)CCOCC2)c1O
InChIInChI=1S/C13H15ClFNO6S/c14-8-1-2-9(22-12(16)18)10(17)11(8)23(19,20)13(7-15)3-5-21-6-4-13/h1-2,17H,3-7H2,(H2,16,18)
InChIKeyKCNKPNQQBJADHG-UHFFFAOYSA-N
MW367.78 g/mol
LogP1.80
Rot. Bonds4

About [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate

[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate (PubChem CID 175015830) has the molecular formula C13H15ClFNO6S and a molecular weight of 367.78 g/mol. Its IUPAC name is [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate.

Molecular Properties

Compound Name[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
PubChem CID175015830
Molecular FormulaC13H15ClFNO6S
Molecular Weight367.78 g/mol
Exact Mass367.03
IUPAC Name[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
SMILESNC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CF)CCOCC2)c1O
InChIInChI=1S/C13H15ClFNO6S/c14-8-1-2-9(22-12(16)18)10(17)11(8)23(19,20)13(7-15)3-5-21-6-4-13/h1-2,17H,3-7H2,(H2,16,18)
InChIKeyKCNKPNQQBJADHG-UHFFFAOYSA-N
XLogP1.80
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The IUPAC name of [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate (CID 175015830) is [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate.
What is the SMILES notation for [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The canonical SMILES for [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate is NC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CF)CCOCC2)c1O.
What is the InChIKey of [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The InChIKey is KCNKPNQQBJADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO6S/c14-8-1-2-9(22-12(16)18)10(17)11(8)23(19,20)13(7-15)3-5-21-6-4-13/h1-2,17H,3-7H2,(H2,16,18).
What are the key properties of [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
[4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate has a molecular weight of 367.78 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[4-(fluoromethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate is sourced from PubChem (CID 175015830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).