N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide

C15H11Cl4NO4S — CID 1180628

IUPACN-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H11Cl4NO4S/c1-7-3-5-9(6-4-7)25(23,24)20(8(2)21)14-10(16)12(18)15(22)13(19)11(14)17/h3-6,22H,1-2H3
InChIKeyGTPGMEKXPBPSPZ-UHFFFAOYSA-N
MW443.14 g/mol
LogP5.06
Rot. Bonds3

About N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide

N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide (PubChem CID 1180628) has the molecular formula C15H11Cl4NO4S and a molecular weight of 443.14 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
PubChem CID1180628
Molecular FormulaC15H11Cl4NO4S
Molecular Weight443.14 g/mol
Exact Mass440.92
IUPAC NameN-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H11Cl4NO4S/c1-7-3-5-9(6-4-7)25(23,24)20(8(2)21)14-10(16)12(18)15(22)13(19)11(14)17/h3-6,22H,1-2H3
InChIKeyGTPGMEKXPBPSPZ-UHFFFAOYSA-N
XLogP5.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.14
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
CID 5117636
N-(2,3-dichloro-4-hydroxynaphthalen-1-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 15445841
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
CID 102235339
N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 13437572
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate
CID 146162056
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide (CID 1180628) is N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide is CC(=O)N(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide?
The InChIKey is GTPGMEKXPBPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO4S/c1-7-3-5-9(6-4-7)25(23,24)20(8(2)21)14-10(16)12(18)15(22)13(19)11(14)17/h3-6,22H,1-2H3.
What are the key properties of N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide?
N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide has a molecular weight of 443.14 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 1180628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).