2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide

C23H18Cl2N2O3S — CID 30558816

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2O3S/c24-19-11-10-17(12-20(19)25)26-23(28)14-27-13-22(18-8-4-5-9-21(18)27)31(29,30)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,28)
InChIKeyRRQMFLPUCPYZRL-UHFFFAOYSA-N
MW473.38 g/mol
LogP5.56
Rot. Bonds6

About 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide

2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 30558816) has the molecular formula C23H18Cl2N2O3S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
PubChem CID30558816
Molecular FormulaC23H18Cl2N2O3S
Molecular Weight473.38 g/mol
Exact Mass472.04
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2O3S/c24-19-11-10-17(12-20(19)25)26-23(28)14-27-13-22(18-8-4-5-9-21(18)27)31(29,30)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,28)
InChIKeyRRQMFLPUCPYZRL-UHFFFAOYSA-N
XLogP5.56
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide (CID 30558816) is 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is RRQMFLPUCPYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3S/c24-19-11-10-17(12-20(19)25)26-23(28)14-27-13-22(18-8-4-5-9-21(18)27)31(29,30)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,28).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 473.38 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 30558816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).