2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

C23H25Cl2N3O4S2 — CID 12006263

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O4S2.ClH/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27;/h1-10,15,21,26H,11-14,16H2,(H,25,28);1H
InChIKeyMOWOJHVUFVJMGH-UHFFFAOYSA-N
MW542.51 g/mol
LogP4.43
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (PubChem CID 12006263) has the molecular formula C23H25Cl2N3O4S2 and a molecular weight of 542.51 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
PubChem CID12006263
Molecular FormulaC23H25Cl2N3O4S2
Molecular Weight542.51 g/mol
Exact Mass541.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O4S2.ClH/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27;/h1-10,15,21,26H,11-14,16H2,(H,25,28);1H
InChIKeyMOWOJHVUFVJMGH-UHFFFAOYSA-N
XLogP4.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (CID 12006263) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The InChIKey is MOWOJHVUFVJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S2.ClH/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27;/h1-10,15,21,26H,11-14,16H2,(H,25,28);1H.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride has a molecular weight of 542.51 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 12006263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).