2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide

C22H21ClN2O3S2 — CID 126011905

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-29-20-9-5-8-19(14-20)24-22(26)16-25(15-17-6-3-2-4-7-17)30(27,28)21-12-10-18(23)11-13-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHJCKTCRQJPBQOA-UHFFFAOYSA-N
MW461.01 g/mol
LogP4.89
Rot. Bonds8

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 126011905) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID126011905
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-29-20-9-5-8-19(14-20)24-22(26)16-25(15-17-6-3-2-4-7-17)30(27,28)21-12-10-18(23)11-13-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyHJCKTCRQJPBQOA-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 126061916
N-(3-acetamidophenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 30883186
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1329355
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide (CID 126011905) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is HJCKTCRQJPBQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c1-29-20-9-5-8-19(14-20)24-22(26)16-25(15-17-6-3-2-4-7-17)30(27,28)21-12-10-18(23)11-13-21/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 461.01 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126011905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).