2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide

C18H21ClN2O3S — CID 3139007

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyMOEPJGJIMMZVDK-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.40
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide (PubChem CID 3139007) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide
PubChem CID3139007
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyMOEPJGJIMMZVDK-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide (CID 3139007) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide?
The InChIKey is MOEPJGJIMMZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide has a molecular weight of 380.90 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N,N-diethylacetamide is sourced from PubChem (CID 3139007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).