4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride

C14H10Cl3NO4S — CID 13315417

IUPAC4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H10Cl3NO4S/c15-9-1-6-13(12(16)7-9)22-8-14(19)18-10-2-4-11(5-3-10)23(17,20)21/h1-7H,8H2,(H,18,19)
InChIKeyDEVUAVBYEYTYLC-UHFFFAOYSA-N
MW394.66 g/mol
LogP3.94
Rot. Bonds5

About 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride

4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride (PubChem CID 13315417) has the molecular formula C14H10Cl3NO4S and a molecular weight of 394.66 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
PubChem CID13315417
Molecular FormulaC14H10Cl3NO4S
Molecular Weight394.66 g/mol
Exact Mass392.94
IUPAC Name4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H10Cl3NO4S/c15-9-1-6-13(12(16)7-9)22-8-14(19)18-10-2-4-11(5-3-10)23(17,20)21/h1-7H,8H2,(H,18,19)
InChIKeyDEVUAVBYEYTYLC-UHFFFAOYSA-N
XLogP3.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 78863315
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 978969
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
2-(2,4-dichlorophenoxy)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105937
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride?
The IUPAC name of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride (CID 13315417) is 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride?
The InChIKey is DEVUAVBYEYTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO4S/c15-9-1-6-13(12(16)7-9)22-8-14(19)18-10-2-4-11(5-3-10)23(17,20)21/h1-7H,8H2,(H,18,19).
What are the key properties of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride?
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride has a molecular weight of 394.66 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride is sourced from PubChem (CID 13315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).