3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide

C18H20Cl2N2O3S — CID 7908049

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-2-3-4-10-21-18(23)13-6-5-7-14(11-13)22-26(24,25)15-8-9-16(19)17(20)12-15/h5-9,11-12,22H,2-4,10H2,1H3,(H,21,23)
InChIKeyYEVKHHYCZHVWKX-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.71
Rot. Bonds8

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide (PubChem CID 7908049) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
PubChem CID7908049
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-2-3-4-10-21-18(23)13-6-5-7-14(11-13)22-26(24,25)15-8-9-16(19)17(20)12-15/h5-9,11-12,22H,2-4,10H2,1H3,(H,21,23)
InChIKeyYEVKHHYCZHVWKX-UHFFFAOYSA-N
XLogP4.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
N-butyl-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572866

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide (CID 7908049) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide is CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide?
The InChIKey is YEVKHHYCZHVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-2-3-4-10-21-18(23)13-6-5-7-14(11-13)22-26(24,25)15-8-9-16(19)17(20)12-15/h5-9,11-12,22H,2-4,10H2,1H3,(H,21,23).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide has a molecular weight of 415.34 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide is sourced from PubChem (CID 7908049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).