4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide

C17H20N2O3S — CID 23276225

IUPAC4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-19(4-2)17(20)13-5-9-15(10-6-13)23(21,22)16-11-7-14(18)8-12-16/h5-12H,3-4,18H2,1-2H3
InChIKeySXPQQRPZOCOZAX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.58
Rot. Bonds5

About 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide

4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide (PubChem CID 23276225) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide
PubChem CID23276225
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-19(4-2)17(20)13-5-9-15(10-6-13)23(21,22)16-11-7-14(18)8-12-16/h5-12H,3-4,18H2,1-2H3
InChIKeySXPQQRPZOCOZAX-UHFFFAOYSA-N
XLogP2.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide (CID 23276225) is 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide?
The InChIKey is SXPQQRPZOCOZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-19(4-2)17(20)13-5-9-15(10-6-13)23(21,22)16-11-7-14(18)8-12-16/h5-12H,3-4,18H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide?
4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-N,N-diethylbenzamide is sourced from PubChem (CID 23276225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).