[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium

C20H27ClN3O3S+ — CID 9306989

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-10-8-9-16(13-17)23-20(25)14-22-15(3)18-11-6-7-12-19(18)21/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,25)/p+1/t15-/m1/s1
InChIKeyOEDMYDPVPDPFEP-OAHLLOKOSA-O
MW424.97 g/mol
LogP2.63
Rot. Bonds9

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 9306989) has the molecular formula C20H27ClN3O3S+ and a molecular weight of 424.97 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
PubChem CID9306989
Molecular FormulaC20H27ClN3O3S+
Molecular Weight424.97 g/mol
Exact Mass424.15
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-10-8-9-16(13-17)23-20(25)14-22-15(3)18-11-6-7-12-19(18)21/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,25)/p+1/t15-/m1/s1
InChIKeyOEDMYDPVPDPFEP-OAHLLOKOSA-O
XLogP2.63
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 25387157
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 9306864
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 8768901
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9253921
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium (CID 9306989) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium is CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is OEDMYDPVPDPFEP-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-10-8-9-16(13-17)23-20(25)14-22-15(3)18-11-6-7-12-19(18)21/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,25)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 424.97 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 9306989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).