N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide

C15H13Cl2N3O4S — CID 4070537

IUPACN-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O4S/c1-9(21)20-25(23,24)11-7-5-10(6-8-11)18-15(22)19-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyPZXMPPHXLWVTFA-UHFFFAOYSA-N
MW402.26 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide

N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide (PubChem CID 4070537) has the molecular formula C15H13Cl2N3O4S and a molecular weight of 402.26 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
PubChem CID4070537
Molecular FormulaC15H13Cl2N3O4S
Molecular Weight402.26 g/mol
Exact Mass401.00
IUPAC NameN-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O4S/c1-9(21)20-25(23,24)11-7-5-10(6-8-11)18-15(22)19-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyPZXMPPHXLWVTFA-UHFFFAOYSA-N
XLogP3.46
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
CID 174989796
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
N-[4-(pyridin-2-ylcarbamoylamino)phenyl]sulfonylacetamide
CID 110492034
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6261465
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
CID 57150049
N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 3681373
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide (CID 4070537) is N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide?
The InChIKey is PZXMPPHXLWVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4S/c1-9(21)20-25(23,24)11-7-5-10(6-8-11)18-15(22)19-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide?
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide has a molecular weight of 402.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 4070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).