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

C18H17ClN2O3S — CID 20911196

IUPAC2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClN2O3S/c1-20-18(22)11-21-10-17(15-7-2-3-8-16(15)21)25(23,24)12-13-5-4-6-14(19)9-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyADSFQDRXPIOGFO-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.01
Rot. Bonds5

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

2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide (PubChem CID 20911196) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
PubChem CID20911196
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClN2O3S/c1-20-18(22)11-21-10-17(15-7-2-3-8-16(15)21)25(23,24)12-13-5-4-6-14(19)9-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyADSFQDRXPIOGFO-UHFFFAOYSA-N
XLogP3.01
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
CID 20911211
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 20911218
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide (CID 20911196) is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The InChIKey is ADSFQDRXPIOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-20-18(22)11-21-10-17(15-7-2-3-8-16(15)21)25(23,24)12-13-5-4-6-14(19)9-13/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide has a molecular weight of 376.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 20911196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).