2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H18Cl2N2O3S — CID 2920213

IUPAC2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,16H,4-9H2,1H3
InChIKeyCHWJFMZGDIOKSL-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.91
Rot. Bonds5

About 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 2920213) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID2920213
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCN2CCOCC2)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,16H,4-9H2,1H3
InChIKeyCHWJFMZGDIOKSL-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 2920213) is 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1c(Cl)ccc(S(=O)(=O)NCCN2CCOCC2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is CHWJFMZGDIOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-10-11(14)2-3-12(13(10)15)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,16H,4-9H2,1H3.
What are the key properties of 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2920213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).