N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide

C19H21Cl2N3O4S — CID 55971836

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H21Cl2N3O4S/c20-16-3-1-2-13(18(16)21)6-7-23-19(25)15-12-14(29(22,26)27)4-5-17(15)24-8-10-28-11-9-24/h1-5,12H,6-11H2,(H,23,25)(H2,22,26,27)
InChIKeyLAWAQFRANOIXMZ-UHFFFAOYSA-N
MW458.37 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide

N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 55971836) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID55971836
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H21Cl2N3O4S/c20-16-3-1-2-13(18(16)21)6-7-23-19(25)15-12-14(29(22,26)27)4-5-17(15)24-8-10-28-11-9-24/h1-5,12H,6-11H2,(H,23,25)(H2,22,26,27)
InChIKeyLAWAQFRANOIXMZ-UHFFFAOYSA-N
XLogP2.45
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 27839021
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815086
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130
N-[2-(2-chlorophenyl)ethyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349202
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
CID 119428703
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 55971836) is N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is LAWAQFRANOIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c20-16-3-1-2-13(18(16)21)6-7-23-19(25)15-12-14(29(22,26)27)4-5-17(15)24-8-10-28-11-9-24/h1-5,12H,6-11H2,(H,23,25)(H2,22,26,27).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 458.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 55971836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).