[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium

C20H27ClN3O3S+ — CID 8637227

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-14(2)24(4)28(26,27)19-11-9-18(10-12-19)23-20(25)13-22-15(3)16-5-7-17(21)8-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)/p+1/t15-/m1/s1
InChIKeyHRQOGGWFTQGECQ-OAHLLOKOSA-O
MW424.97 g/mol
LogP2.63
Rot. Bonds8

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium (PubChem CID 8637227) has the molecular formula C20H27ClN3O3S+ and a molecular weight of 424.97 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
PubChem CID8637227
Molecular FormulaC20H27ClN3O3S+
Molecular Weight424.97 g/mol
Exact Mass424.15
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-14(2)24(4)28(26,27)19-11-9-18(10-12-19)23-20(25)13-22-15(3)16-5-7-17(21)8-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)/p+1/t15-/m1/s1
InChIKeyHRQOGGWFTQGECQ-OAHLLOKOSA-O
XLogP2.63
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
CID 9335413
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
CID 9336359
[2-(3-acetylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335434
[(1S)-1-(4-chlorophenyl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 9336464

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium (CID 8637227) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium?
The InChIKey is HRQOGGWFTQGECQ-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H26ClN3O3S/c1-14(2)24(4)28(26,27)19-11-9-18(10-12-19)23-20(25)13-22-15(3)16-5-7-17(21)8-6-16/h5-12,14-15,22H,13H2,1-4H3,(H,23,25)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium has a molecular weight of 424.97 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8637227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).