2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

C23H19ClN2O3S — CID 20911238

IUPAC2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c24-20-12-6-4-8-17(20)16-30(28,29)22-14-26(21-13-7-5-11-19(21)22)15-23(27)25-18-9-2-1-3-10-18/h1-14H,15-16H2,(H,25,27)
InChIKeyCRYYAPBTUCDXEW-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.91
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (PubChem CID 20911238) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
PubChem CID20911238
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c24-20-12-6-4-8-17(20)16-30(28,29)22-14-26(21-13-7-5-11-19(21)22)15-23(27)25-18-9-2-1-3-10-18/h1-14H,15-16H2,(H,25,27)
InChIKeyCRYYAPBTUCDXEW-UHFFFAOYSA-N
XLogP4.91
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 20911242
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (CID 20911238) is 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is CRYYAPBTUCDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-20-12-6-4-8-17(20)16-30(28,29)22-14-26(21-13-7-5-11-19(21)22)15-23(27)25-18-9-2-1-3-10-18/h1-14H,15-16H2,(H,25,27).
What are the key properties of 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 438.94 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 20911238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).