4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide

C21H19Cl2N3O4S2 — CID 4842248

IUPAC4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C21H19Cl2N3O4S2/c22-19-13-18(20(23)31-19)32(28,29)25-15-7-5-14(6-8-15)21(27)24-16-3-1-2-4-17(16)26-9-11-30-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
InChIKeySGQFCGOQEBCMIM-UHFFFAOYSA-N
MW512.44 g/mol
LogP4.94
Rot. Bonds6

About 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 4842248) has the molecular formula C21H19Cl2N3O4S2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID4842248
Molecular FormulaC21H19Cl2N3O4S2
Molecular Weight512.44 g/mol
Exact Mass511.02
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C21H19Cl2N3O4S2/c22-19-13-18(20(23)31-19)32(28,29)25-15-7-5-14(6-8-15)21(27)24-16-3-1-2-4-17(16)26-9-11-30-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)
InChIKeySGQFCGOQEBCMIM-UHFFFAOYSA-N
XLogP4.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5168482
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
(2-morpholin-4-ylphenyl) 2,5-dichlorothiophene-3-sulfonate
CID 2813106
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2475991
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide (CID 4842248) is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is SGQFCGOQEBCMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4S2/c22-19-13-18(20(23)31-19)32(28,29)25-15-7-5-14(6-8-15)21(27)24-16-3-1-2-4-17(16)26-9-11-30-12-10-26/h1-8,13,25H,9-12H2,(H,24,27).
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 512.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 4842248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).