N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide

C17H13ClF4N2O4S — CID 4641528

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H13ClF4N2O4S/c18-11-2-1-9(29(26,27)24-3-5-28-6-4-24)7-13(11)23-17(25)10-8-12(19)15(21)16(22)14(10)20/h1-2,7-8H,3-6H2,(H,23,25)
InChIKeyDGWAFKLLIQFYNY-UHFFFAOYSA-N
MW452.81 g/mol
LogP3.17
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide (PubChem CID 4641528) has the molecular formula C17H13ClF4N2O4S and a molecular weight of 452.81 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
PubChem CID4641528
Molecular FormulaC17H13ClF4N2O4S
Molecular Weight452.81 g/mol
Exact Mass452.02
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H13ClF4N2O4S/c18-11-2-1-9(29(26,27)24-3-5-28-6-4-24)7-13(11)23-17(25)10-8-12(19)15(21)16(22)14(10)20/h1-2,7-8H,3-6H2,(H,23,25)
InChIKeyDGWAFKLLIQFYNY-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide (CID 4641528) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide?
The InChIKey is DGWAFKLLIQFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N2O4S/c18-11-2-1-9(29(26,27)24-3-5-28-6-4-24)7-13(11)23-17(25)10-8-12(19)15(21)16(22)14(10)20/h1-2,7-8H,3-6H2,(H,23,25).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide has a molecular weight of 452.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 4641528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).