2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide

C17H13Cl2F3N2O4S — CID 26358776

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O4S/c18-10-8-11(19)14(29(26,27)24-3-5-28-6-4-24)7-9(10)17(25)23-13-2-1-12(20)15(21)16(13)22/h1-2,7-8H,3-6H2,(H,23,25)
InChIKeyBXBXRJRBGGONBZ-UHFFFAOYSA-N
MW469.27 g/mol
LogP3.68
Rot. Bonds4

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 26358776) has the molecular formula C17H13Cl2F3N2O4S and a molecular weight of 469.27 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID26358776
Molecular FormulaC17H13Cl2F3N2O4S
Molecular Weight469.27 g/mol
Exact Mass467.99
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O4S/c18-10-8-11(19)14(29(26,27)24-3-5-28-6-4-24)7-9(10)17(25)23-13-2-1-12(20)15(21)16(13)22/h1-2,7-8H,3-6H2,(H,23,25)
InChIKeyBXBXRJRBGGONBZ-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
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
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide (CID 26358776) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is BXBXRJRBGGONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O4S/c18-10-8-11(19)14(29(26,27)24-3-5-28-6-4-24)7-9(10)17(25)23-13-2-1-12(20)15(21)16(13)22/h1-2,7-8H,3-6H2,(H,23,25).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 469.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 26358776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).