4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide

C21H18Cl2N2O3S — CID 39584361

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-2-25(18-6-4-3-5-7-18)21(26)15-8-11-17(12-9-15)24-29(27,28)20-14-16(22)10-13-19(20)23/h3-14,24H,2H2,1H3
InChIKeyDGQNUYFBBGPDQC-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.46
Rot. Bonds6

About 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide

4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide (PubChem CID 39584361) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
PubChem CID39584361
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-2-25(18-6-4-3-5-7-18)21(26)15-8-11-17(12-9-15)24-29(27,28)20-14-16(22)10-13-19(20)23/h3-14,24H,2H2,1H3
InChIKeyDGQNUYFBBGPDQC-UHFFFAOYSA-N
XLogP5.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 2335058
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55376093
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-phenylbenzamide
CID 46545903
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide (CID 39584361) is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide?
The InChIKey is DGQNUYFBBGPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-2-25(18-6-4-3-5-7-18)21(26)15-8-11-17(12-9-15)24-29(27,28)20-14-16(22)10-13-19(20)23/h3-14,24H,2H2,1H3.
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide?
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide has a molecular weight of 449.36 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 39584361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).