2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

C9H11Cl2NO3S — CID 47001907

IUPAC2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCO)c1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-6-7(10)2-3-8(9(6)11)16(14,15)12-4-5-13/h2-3,12-13H,4-5H2,1H3
InChIKeyDSIHSFIQMIIGQA-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.57
Rot. Bonds4

About 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 47001907) has the molecular formula C9H11Cl2NO3S and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID47001907
Molecular FormulaC9H11Cl2NO3S
Molecular Weight284.16 g/mol
Exact Mass282.98
IUPAC Name2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCO)c1Cl
InChIInChI=1S/C9H11Cl2NO3S/c1-6-7(10)2-3-8(9(6)11)16(14,15)12-4-5-13/h2-3,12-13H,4-5H2,1H3
InChIKeyDSIHSFIQMIIGQA-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 47001907) is 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1c(Cl)ccc(S(=O)(=O)NCCO)c1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is DSIHSFIQMIIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S/c1-6-7(10)2-3-8(9(6)11)16(14,15)12-4-5-13/h2-3,12-13H,4-5H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 284.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).