N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide

C20H19Cl2FN2O5S — CID 3589301

IUPACN-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
InChIInChI=1S/C20H19Cl2FN2O5S/c21-13-1-4-18(16(22)11-13)24-19(26)15-12-14(2-3-17(15)23)31(27,28)25-7-5-20(6-8-25)29-9-10-30-20/h1-4,11-12H,5-10H2,(H,24,26)
InChIKeyVYLQHSLHNLJNJA-UHFFFAOYSA-N
MW489.35 g/mol
LogP3.91
Rot. Bonds4

About N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide

N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide (PubChem CID 3589301) has the molecular formula C20H19Cl2FN2O5S and a molecular weight of 489.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
PubChem CID3589301
Molecular FormulaC20H19Cl2FN2O5S
Molecular Weight489.35 g/mol
Exact Mass488.04
IUPAC NameN-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
InChIInChI=1S/C20H19Cl2FN2O5S/c21-13-1-4-18(16(22)11-13)24-19(26)15-12-14(2-3-17(15)23)31(27,28)25-7-5-20(6-8-25)29-9-10-30-20/h1-4,11-12H,5-10H2,(H,24,26)
InChIKeyVYLQHSLHNLJNJA-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4129269
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-fluorobenzamide
CID 4216299
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(3-chloro-4-fluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530457
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide (CID 3589301) is N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is VYLQHSLHNLJNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O5S/c21-13-1-4-18(16(22)11-13)24-19(26)15-12-14(2-3-17(15)23)31(27,28)25-7-5-20(6-8-25)29-9-10-30-20/h1-4,11-12H,5-10H2,(H,24,26).
What are the key properties of N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide?
N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 489.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 3589301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).