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

C16H16Cl2N2O3S — CID 17495670

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-8-19-16(21)11-4-3-5-12(9-11)20-24(22,23)13-6-7-14(17)15(18)10-13/h3-7,9-10,20H,2,8H2,1H3,(H,19,21)
InChIKeyQIEAKQSBXKQRBG-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.93
Rot. Bonds6

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

3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 17495670) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
PubChem CID17495670
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-8-19-16(21)11-4-3-5-12(9-11)20-24(22,23)13-6-7-14(17)15(18)10-13/h3-7,9-10,20H,2,8H2,1H3,(H,19,21)
InChIKeyQIEAKQSBXKQRBG-UHFFFAOYSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide (CID 17495670) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is QIEAKQSBXKQRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-2-8-19-16(21)11-4-3-5-12(9-11)20-24(22,23)13-6-7-14(17)15(18)10-13/h3-7,9-10,20H,2,8H2,1H3,(H,19,21).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 387.29 g/mol, XLogP of 3.93, 6 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-propylbenzamide is sourced from PubChem (CID 17495670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).