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

C19H22ClN3O4S — CID 27839021

IUPACN-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O4S/c20-15-3-1-2-14(12-15)6-7-22-19(24)17-13-16(28(21,25)26)4-5-18(17)23-8-10-27-11-9-23/h1-5,12-13H,6-11H2,(H,22,24)(H2,21,25,26)
InChIKeyMYWSBZRSTWOWCR-UHFFFAOYSA-N
MW423.92 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 27839021) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID27839021
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O4S/c20-15-3-1-2-14(12-15)6-7-22-19(24)17-13-16(28(21,25)26)4-5-18(17)23-8-10-27-11-9-23/h1-5,12-13H,6-11H2,(H,22,24)(H2,21,25,26)
InChIKeyMYWSBZRSTWOWCR-UHFFFAOYSA-N
XLogP1.80
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55971836
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130
N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 7409532
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-[2-(3-chlorophenyl)ethyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103786
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815086
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 27839021) is N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is MYWSBZRSTWOWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c20-15-3-1-2-14(12-15)6-7-22-19(24)17-13-16(28(21,25)26)4-5-18(17)23-8-10-27-11-9-23/h1-5,12-13H,6-11H2,(H,22,24)(H2,21,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 423.92 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 27839021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).