2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H23Cl3N2O3S — CID 43872076

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C25H23Cl3N2O3S/c26-19-10-12-21(13-11-19)34(32,33)30(15-18-8-9-20(27)14-23(18)28)16-25(31)29-24-7-3-5-17-4-1-2-6-22(17)24/h1-2,4,6,8-14,24H,3,5,7,15-16H2,(H,29,31)
InChIKeyVGOUKRIJMCRXIJ-UHFFFAOYSA-N
MW537.90 g/mol
LogP6.03
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43872076) has the molecular formula C25H23Cl3N2O3S and a molecular weight of 537.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43872076
Molecular FormulaC25H23Cl3N2O3S
Molecular Weight537.90 g/mol
Exact Mass536.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C25H23Cl3N2O3S/c26-19-10-12-21(13-11-19)34(32,33)30(15-18-8-9-20(27)14-23(18)28)16-25(31)29-24-7-3-5-17-4-1-2-6-22(17)24/h1-2,4,6,8-14,24H,3,5,7,15-16H2,(H,29,31)
InChIKeyVGOUKRIJMCRXIJ-UHFFFAOYSA-N
XLogP6.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.90
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548851
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 126371963
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30228496
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894980
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43872076) is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is VGOUKRIJMCRXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O3S/c26-19-10-12-21(13-11-19)34(32,33)30(15-18-8-9-20(27)14-23(18)28)16-25(31)29-24-7-3-5-17-4-1-2-6-22(17)24/h1-2,4,6,8-14,24H,3,5,7,15-16H2,(H,29,31).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 537.90 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43872076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).