N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide

C22H17Cl3N2O6S2 — CID 5117636

IUPACN-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
SMILESCC(=O)N(c1cc(Cl)c(N(C(C)=O)S(=O)(=O)c2ccccc2)c(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17Cl3N2O6S2/c1-14(28)26(34(30,31)16-9-5-3-6-10-16)19-13-18(23)22(21(25)20(19)24)27(15(2)29)35(32,33)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyZXOPBCZOPADNMZ-UHFFFAOYSA-N
MW575.88 g/mol
LogP5.13
Rot. Bonds6

About N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide

N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide (PubChem CID 5117636) has the molecular formula C22H17Cl3N2O6S2 and a molecular weight of 575.88 g/mol. Its IUPAC name is N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
PubChem CID5117636
Molecular FormulaC22H17Cl3N2O6S2
Molecular Weight575.88 g/mol
Exact Mass573.96
IUPAC NameN-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
SMILESCC(=O)N(c1cc(Cl)c(N(C(C)=O)S(=O)(=O)c2ccccc2)c(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17Cl3N2O6S2/c1-14(28)26(34(30,31)16-9-5-3-6-10-16)19-13-18(23)22(21(25)20(19)24)27(15(2)29)35(32,33)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyZXOPBCZOPADNMZ-UHFFFAOYSA-N
XLogP5.13
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.88
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[acetyl(benzenesulfonyl)amino]-2,3,6-trichlorophenyl] acetate
CID 1381610
N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
CID 1180628
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19210283
[4-[acetyl(benzenesulfonyl)amino]-3-methylphenyl] acetate
CID 6462491
N-(3-chlorophenyl)sulfonyl-N-(2-iodophenyl)acetamide
CID 162372261
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
propan-2-yl 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetate
CID 50895363
N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
CID 118078369

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide?
The IUPAC name of N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide (CID 5117636) is N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide.
What is the SMILES notation for N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide?
The canonical SMILES for N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide is CC(=O)N(c1cc(Cl)c(N(C(C)=O)S(=O)(=O)c2ccccc2)c(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide?
The InChIKey is ZXOPBCZOPADNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N2O6S2/c1-14(28)26(34(30,31)16-9-5-3-6-10-16)19-13-18(23)22(21(25)20(19)24)27(15(2)29)35(32,33)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide?
N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide has a molecular weight of 575.88 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide is sourced from PubChem (CID 5117636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).