(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol

C11H16ClNO3S — CID 114983164

IUPAC(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16ClNO3S/c1-8(7-14)13-6-9-10(12)4-3-5-11(9)17(2,15)16/h3-5,8,13-14H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyRXJBLOIYHBDEJJ-MRVPVSSYSA-N
MW277.77 g/mol
LogP1.21
Rot. Bonds5

About (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol

(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol (PubChem CID 114983164) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
PubChem CID114983164
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16ClNO3S/c1-8(7-14)13-6-9-10(12)4-3-5-11(9)17(2,15)16/h3-5,8,13-14H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyRXJBLOIYHBDEJJ-MRVPVSSYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol (CID 114983164) is (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol?
The InChIKey is RXJBLOIYHBDEJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(7-14)13-6-9-10(12)4-3-5-11(9)17(2,15)16/h3-5,8,13-14H,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol?
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol has a molecular weight of 277.77 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 114983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).