3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide

C19H21Cl3N2O3S — CID 126257708

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl3N2O3S/c1-19(2,3)24-28(26,27)13-7-4-12(5-8-13)6-9-18(25)23-17-11-15(21)14(20)10-16(17)22/h4-5,7-8,10-11,24H,6,9H2,1-3H3,(H,23,25)
InChIKeyRAEOZOXAZGXLMY-UHFFFAOYSA-N
MW463.81 g/mol
LogP5.29
Rot. Bonds6

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 126257708) has the molecular formula C19H21Cl3N2O3S and a molecular weight of 463.81 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID126257708
Molecular FormulaC19H21Cl3N2O3S
Molecular Weight463.81 g/mol
Exact Mass462.03
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl3N2O3S/c1-19(2,3)24-28(26,27)13-7-4-12(5-8-13)6-9-18(25)23-17-11-15(21)14(20)10-16(17)22/h4-5,7-8,10-11,24H,6,9H2,1-3H3,(H,23,25)
InChIKeyRAEOZOXAZGXLMY-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.81
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 3661392
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 2981886
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide (CID 126257708) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is RAEOZOXAZGXLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O3S/c1-19(2,3)24-28(26,27)13-7-4-12(5-8-13)6-9-18(25)23-17-11-15(21)14(20)10-16(17)22/h4-5,7-8,10-11,24H,6,9H2,1-3H3,(H,23,25).
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 463.81 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 126257708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).