2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H18Cl2N2O3S — CID 1167276

IUPAC2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-8-13(12(15)9-11(10)14)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3
InChIKeyYCCRVGPGRWSLLX-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.91
Rot. Bonds5

About 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1167276) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1167276
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-10-8-13(12(15)9-11(10)14)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3
InChIKeyYCCRVGPGRWSLLX-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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Related Compounds

2,4-Dichloro-3-methyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 2920213
2,4-dichloro-5-methyl-N-(3-morpholinopropyl)benzenesulfonamide
CID 3126386
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747984
1-(2,4-Dichloro-3-methyl-benzenesulfonyl)-4-methyl-piperazine
CID 775480
4-chloro-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2235573
1-[(2,4-Dichloro-5-methylphenyl)sulfonyl]-4-ethylpiperazine
CID 16044474
4,5-dichloro-2-methyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 16044496
2-(4-((2,4-Dichloro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644905
2-(4-((4-Chloro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644934
4-chloro-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 126456709
4-(4-Chloro-3-methyl-benzenesulfonyl)-morpholine
CID 686061
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2453546

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1167276) is 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YCCRVGPGRWSLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-10-8-13(12(15)9-11(10)14)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,4-dichloro-5-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-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1167276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).