2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide

C19H20Cl2N2O4S — CID 71903942

IUPAC2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4S/c1-2-13-3-5-14(6-4-13)22-19(24)15-11-18(17(21)12-16(15)20)28(25,26)23-7-9-27-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,22,24)
InChIKeyUJLAJHYPMMSQKL-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.83
Rot. Bonds5

About 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 71903942) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID71903942
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4S/c1-2-13-3-5-14(6-4-13)22-19(24)15-11-18(17(21)12-16(15)20)28(25,26)23-7-9-27-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,22,24)
InChIKeyUJLAJHYPMMSQKL-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 71903942) is 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UJLAJHYPMMSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-2-13-3-5-14(6-4-13)22-19(24)15-11-18(17(21)12-16(15)20)28(25,26)23-7-9-27-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 71903942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).