2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

C19H23ClN2O3S — CID 44580808

IUPAC2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyYTOHYVGABBLAOV-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.71
Rot. Bonds7

About 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide

2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (PubChem CID 44580808) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
PubChem CID44580808
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyYTOHYVGABBLAOV-UHFFFAOYSA-N
XLogP3.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide (CID 44580808) is 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
The InChIKey is YTOHYVGABBLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide?
2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-chlorophenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 44580808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).