N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide

C17H16ClFN2O4S — CID 3363569

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O4S/c18-14-6-5-12(20-17(22)13-3-1-2-4-15(13)19)11-16(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyHQISDGGTGXMSSX-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.75
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide (PubChem CID 3363569) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
PubChem CID3363569
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O4S/c18-14-6-5-12(20-17(22)13-3-1-2-4-15(13)19)11-16(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyHQISDGGTGXMSSX-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
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CID 90451563
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 4217336
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
CID 4642440
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide (CID 3363569) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1F.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide?
The InChIKey is HQISDGGTGXMSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-14-6-5-12(20-17(22)13-3-1-2-4-15(13)19)11-16(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide has a molecular weight of 398.84 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 3363569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).