[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate

C19H22Cl2N2O5S — CID 20665663

IUPAC[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1C
InChIInChI=1S/C19H22Cl2N2O5S/c1-5-6-22-19(25)28-15-8-10(2)7-11(3)18(15)29(26,27)23-14-9-13(20)17(24)16(21)12(14)4/h7-9,23-24H,5-6H2,1-4H3,(H,22,25)
InChIKeyCVKYOCBAEFTNPU-UHFFFAOYSA-N
MW461.37 g/mol
LogP4.92
Rot. Bonds6

About [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate

[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate (PubChem CID 20665663) has the molecular formula C19H22Cl2N2O5S and a molecular weight of 461.37 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate
PubChem CID20665663
Molecular FormulaC19H22Cl2N2O5S
Molecular Weight461.37 g/mol
Exact Mass460.06
IUPAC Name[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1C
InChIInChI=1S/C19H22Cl2N2O5S/c1-5-6-22-19(25)28-15-8-10(2)7-11(3)18(15)29(26,27)23-14-9-13(20)17(24)16(21)12(14)4/h7-9,23-24H,5-6H2,1-4H3,(H,22,25)
InChIKeyCVKYOCBAEFTNPU-UHFFFAOYSA-N
XLogP4.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate 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

N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide;N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 54074003
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873469
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
[3,4,6-trichloro-2-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl] propanoate
CID 22763225
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833364
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2,3,5-trimethyl-N-propylbenzamide
CID 66873398
N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 17311471
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate?
The IUPAC name of [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate (CID 20665663) is [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate.
What is the SMILES notation for [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate?
The canonical SMILES for [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate is CCCNC(=O)Oc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1C.
What is the InChIKey of [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate?
The InChIKey is CVKYOCBAEFTNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O5S/c1-5-6-22-19(25)28-15-8-10(2)7-11(3)18(15)29(26,27)23-14-9-13(20)17(24)16(21)12(14)4/h7-9,23-24H,5-6H2,1-4H3,(H,22,25).
What are the key properties of [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate?
[2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate has a molecular weight of 461.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-hydroxy-2-methylphenyl)sulfamoyl]-3,5-dimethylphenyl] N-propylcarbamate is sourced from PubChem (CID 20665663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).