2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide

C11H15Cl2NO3S — CID 47071439

IUPAC2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-8(6-15)14-18(16,17)10-5-4-9(12)7(2)11(10)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyCOEMFLMMHAIUMK-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.35
Rot. Bonds5

About 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide

2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide (PubChem CID 47071439) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide
PubChem CID47071439
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-8(6-15)14-18(16,17)10-5-4-9(12)7(2)11(10)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyCOEMFLMMHAIUMK-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide (CID 47071439) is 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide is CCC(CO)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is COEMFLMMHAIUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-3-8(6-15)14-18(16,17)10-5-4-9(12)7(2)11(10)13/h4-5,8,14-15H,3,6H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide?
2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-hydroxybutan-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47071439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).