2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide

C19H23ClN2O3S — CID 7917886

IUPAC2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-21(4-2)19(23)15-22(14-16-9-6-5-7-10-16)26(24,25)18-12-8-11-17(20)13-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyUJUVISFBDPYFJT-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.40
Rot. Bonds8

About 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide

2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide (PubChem CID 7917886) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
PubChem CID7917886
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-21(4-2)19(23)15-22(14-16-9-6-5-7-10-16)26(24,25)18-12-8-11-17(20)13-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyUJUVISFBDPYFJT-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
ethyl 2-[benzyl-(3-cyanophenyl)sulfonylamino]acetate
CID 3854313
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-methylacetamide
CID 1323789
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 126011436
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
N-benzyl-N-ethylbenzenesulfonamide
CID 668950

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide (CID 7917886) is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The InChIKey is UJUVISFBDPYFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-21(4-2)19(23)15-22(14-16-9-6-5-7-10-16)26(24,25)18-12-8-11-17(20)13-18/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 7917886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).