2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide

C15H17Cl2N3O5S — CID 75394614

IUPAC2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC1CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)=NO1
InChIInChI=1S/C15H17Cl2N3O5S/c1-9-6-14(19-25-9)18-15(21)10-7-13(12(17)8-11(10)16)26(22,23)20-2-4-24-5-3-20/h7-9H,2-6H2,1H3,(H,18,19,21)
InChIKeyZRLPAPNICNDHTE-UHFFFAOYSA-N
MW422.29 g/mol
LogP1.87
Rot. Bonds3

About 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 75394614) has the molecular formula C15H17Cl2N3O5S and a molecular weight of 422.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID75394614
Molecular FormulaC15H17Cl2N3O5S
Molecular Weight422.29 g/mol
Exact Mass421.03
IUPAC Name2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC1CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)=NO1
InChIInChI=1S/C15H17Cl2N3O5S/c1-9-6-14(19-25-9)18-15(21)10-7-13(12(17)8-11(10)16)26(22,23)20-2-4-24-5-3-20/h7-9H,2-6H2,1H3,(H,18,19,21)
InChIKeyZRLPAPNICNDHTE-UHFFFAOYSA-N
XLogP1.87
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
CID 55435294
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
CID 53347329
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
2,4-dichloro-N-[4-(4-methylpiperidin-1-yl)butyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55724763
ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
CID 55642526

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 75394614) is 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide is CC1CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)=NO1.
What is the InChIKey of 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZRLPAPNICNDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O5S/c1-9-6-14(19-25-9)18-15(21)10-7-13(12(17)8-11(10)16)26(22,23)20-2-4-24-5-3-20/h7-9H,2-6H2,1H3,(H,18,19,21).
What are the key properties of 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 422.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 75394614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).