2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C17H19Cl3N2O4S2 — CID 55904772

IUPAC2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl3N2O4S2/c1-11(2)22-27(23,24)10-13-5-3-12(4-6-13)9-21-28(25,26)17-15(19)7-14(18)8-16(17)20/h3-8,11,21-22H,9-10H2,1-2H3
InChIKeyFZEGNCHMTAAVGY-UHFFFAOYSA-N
MW485.84 g/mol
LogP3.95
Rot. Bonds8

About 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55904772) has the molecular formula C17H19Cl3N2O4S2 and a molecular weight of 485.84 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID55904772
Molecular FormulaC17H19Cl3N2O4S2
Molecular Weight485.84 g/mol
Exact Mass483.99
IUPAC Name2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl3N2O4S2/c1-11(2)22-27(23,24)10-13-5-3-12(4-6-13)9-21-28(25,26)17-15(19)7-14(18)8-16(17)20/h3-8,11,21-22H,9-10H2,1-2H3
InChIKeyFZEGNCHMTAAVGY-UHFFFAOYSA-N
XLogP3.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.84
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111358758
5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050535

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 55904772) is 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is FZEGNCHMTAAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl3N2O4S2/c1-11(2)22-27(23,24)10-13-5-3-12(4-6-13)9-21-28(25,26)17-15(19)7-14(18)8-16(17)20/h3-8,11,21-22H,9-10H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 485.84 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55904772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).