N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

C19H24ClN3O4S — CID 119548741

IUPACN-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H23N3O4S.ClH/c20-17-6-4-15(5-7-17)8-9-21-19(23)16-2-1-3-18(14-16)27(24,25)22-10-12-26-13-11-22;/h1-7,14H,8-13,20H2,(H,21,23);1H
InChIKeyWVIJVSJKNSKPCO-UHFFFAOYSA-N
MW425.94 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119548741) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119548741
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H23N3O4S.ClH/c20-17-6-4-15(5-7-17)8-9-21-19(23)16-2-1-3-18(14-16)27(24,25)22-10-12-26-13-11-22;/h1-7,14H,8-13,20H2,(H,21,23);1H
InChIKeyWVIJVSJKNSKPCO-UHFFFAOYSA-N
XLogP1.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119548741) is N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is WVIJVSJKNSKPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c20-17-6-4-15(5-7-17)8-9-21-19(23)16-2-1-3-18(14-16)27(24,25)22-10-12-26-13-11-22;/h1-7,14H,8-13,20H2,(H,21,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119548741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).