3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide

C19H21Cl2N3O5S — CID 30476036

IUPAC3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O5S/c1-3-24(4-2)30(27,28)15-7-5-6-13(10-15)19(26)23-22-18(25)12-29-17-9-8-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZMOKFKUEDPHFBC-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.86
Rot. Bonds8

About 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide

3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide (PubChem CID 30476036) has the molecular formula C19H21Cl2N3O5S and a molecular weight of 474.37 g/mol. Its IUPAC name is 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
PubChem CID30476036
Molecular FormulaC19H21Cl2N3O5S
Molecular Weight474.37 g/mol
Exact Mass473.06
IUPAC Name3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O5S/c1-3-24(4-2)30(27,28)15-7-5-6-13(10-15)19(26)23-22-18(25)12-29-17-9-8-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZMOKFKUEDPHFBC-UHFFFAOYSA-N
XLogP2.86
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
3-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 55486046
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
3-[[[2-(2,4-difluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31896214
3-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654520
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
2-(2,4-dichlorophenoxy)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 3581706
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 46803829
3-[[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 27226524

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide (CID 30476036) is 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is ZMOKFKUEDPHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O5S/c1-3-24(4-2)30(27,28)15-7-5-6-13(10-15)19(26)23-22-18(25)12-29-17-9-8-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 474.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 30476036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).