6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide

C11H16ClNO3S — CID 58790467

IUPAC6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1O
InChIInChI=1S/C11H16ClNO3S/c1-7(2)8-5-6-9(12)11(10(8)14)17(15,16)13(3)4/h5-7,14H,1-4H3
InChIKeyCOKGRSUABGIVQA-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.42
Rot. Bonds3

About 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide

6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide (PubChem CID 58790467) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide
PubChem CID58790467
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1O
InChIInChI=1S/C11H16ClNO3S/c1-7(2)8-5-6-9(12)11(10(8)14)17(15,16)13(3)4/h5-7,14H,1-4H3
InChIKeyCOKGRSUABGIVQA-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide (CID 58790467) is 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1O.
What is the InChIKey of 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide?
The InChIKey is COKGRSUABGIVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-7(2)8-5-6-9(12)11(10(8)14)17(15,16)13(3)4/h5-7,14H,1-4H3.
What are the key properties of 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide?
6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-N,N-dimethyl-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 58790467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).