[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate

C15H20ClNO6S — CID 175014592

IUPAC[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate
SMILESCC(C)(C1CCOCC1)S(=O)(=O)c1c(Cl)ccc(OC(N)=O)c1O
InChIInChI=1S/C15H20ClNO6S/c1-15(2,9-5-7-22-8-6-9)24(20,21)13-10(16)3-4-11(12(13)18)23-14(17)19/h3-4,9,18H,5-8H2,1-2H3,(H2,17,19)
InChIKeyAKXPTXVRWQYBMX-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.48
Rot. Bonds4

About [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate

[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate (PubChem CID 175014592) has the molecular formula C15H20ClNO6S and a molecular weight of 377.85 g/mol. Its IUPAC name is [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate
PubChem CID175014592
Molecular FormulaC15H20ClNO6S
Molecular Weight377.85 g/mol
Exact Mass377.07
IUPAC Name[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate
SMILESCC(C)(C1CCOCC1)S(=O)(=O)c1c(Cl)ccc(OC(N)=O)c1O
InChIInChI=1S/C15H20ClNO6S/c1-15(2,9-5-7-22-8-6-9)24(20,21)13-10(16)3-4-11(12(13)18)23-14(17)19/h3-4,9,18H,5-8H2,1-2H3,(H2,17,19)
InChIKeyAKXPTXVRWQYBMX-UHFFFAOYSA-N
XLogP2.48
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate?
The IUPAC name of [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate (CID 175014592) is [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate.
What is the SMILES notation for [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate?
The canonical SMILES for [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate is CC(C)(C1CCOCC1)S(=O)(=O)c1c(Cl)ccc(OC(N)=O)c1O.
What is the InChIKey of [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate?
The InChIKey is AKXPTXVRWQYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO6S/c1-15(2,9-5-7-22-8-6-9)24(20,21)13-10(16)3-4-11(12(13)18)23-14(17)19/h3-4,9,18H,5-8H2,1-2H3,(H2,17,19).
What are the key properties of [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate?
[4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate has a molecular weight of 377.85 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-hydroxy-3-[2-(oxan-4-yl)propan-2-ylsulfonyl]phenyl] carbamate is sourced from PubChem (CID 175014592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).