3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide

C16H16Cl2N2O3S — CID 27648381

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyUAJBDPBXAJRDDQ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.93
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 27648381) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID27648381
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyUAJBDPBXAJRDDQ-UHFFFAOYSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-methoxybenzamide
CID 33102554
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide (CID 27648381) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is UAJBDPBXAJRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 387.29 g/mol, XLogP of 3.93, 5 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-propan-2-ylbenzamide is sourced from PubChem (CID 27648381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).