N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

C23H17Cl2FN2O3S — CID 30560764

IUPACN-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2FN2O3S/c24-18-5-3-6-19(23(18)25)27-22(29)13-28-12-21(17-4-1-2-7-20(17)28)32(30,31)14-15-8-10-16(26)11-9-15/h1-12H,13-14H2,(H,27,29)
InChIKeyICYKGWACOSSHCS-UHFFFAOYSA-N
MW491.37 g/mol
LogP5.70
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30560764) has the molecular formula C23H17Cl2FN2O3S and a molecular weight of 491.37 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30560764
Molecular FormulaC23H17Cl2FN2O3S
Molecular Weight491.37 g/mol
Exact Mass490.03
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2FN2O3S/c24-18-5-3-6-19(23(18)25)27-22(29)13-28-12-21(17-4-1-2-7-20(17)28)32(30,31)14-15-8-10-16(26)11-9-15/h1-12H,13-14H2,(H,27,29)
InChIKeyICYKGWACOSSHCS-UHFFFAOYSA-N
XLogP5.70
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560784
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-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
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 N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30560764) is N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is ICYKGWACOSSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O3S/c24-18-5-3-6-19(23(18)25)27-22(29)13-28-12-21(17-4-1-2-7-20(17)28)32(30,31)14-15-8-10-16(26)11-9-15/h1-12H,13-14H2,(H,27,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 491.37 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).