N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C21H18ClFN2O4S2 — CID 53101574

IUPACN-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H18ClFN2O4S2/c22-17-13-16(4-5-18(17)23)24-21(26)15-3-1-2-14(12-15)19-6-7-20(30-19)31(27,28)25-8-10-29-11-9-25/h1-7,12-13H,8-11H2,(H,24,26)
InChIKeyPYNIKBYNVFWWEQ-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.48
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101574) has the molecular formula C21H18ClFN2O4S2 and a molecular weight of 480.97 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101574
Molecular FormulaC21H18ClFN2O4S2
Molecular Weight480.97 g/mol
Exact Mass480.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H18ClFN2O4S2/c22-17-13-16(4-5-18(17)23)24-21(26)15-3-1-2-14(12-15)19-6-7-20(30-19)31(27,28)25-8-10-29-11-9-25/h1-7,12-13H,8-11H2,(H,24,26)
InChIKeyPYNIKBYNVFWWEQ-UHFFFAOYSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-(1,3-benzodioxol-5-yl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101425
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23847849
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2713360

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 53101574) is N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is PYNIKBYNVFWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S2/c22-17-13-16(4-5-18(17)23)24-21(26)15-3-1-2-14(12-15)19-6-7-20(30-19)31(27,28)25-8-10-29-11-9-25/h1-7,12-13H,8-11H2,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 480.97 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).