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

C23H18BrFN2O3S — CID 30560732

IUPACN-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1
InChIInChI=1S/C23H18BrFN2O3S/c24-17-4-3-5-19(12-17)26-23(28)14-27-13-22(20-6-1-2-7-21(20)27)31(29,30)15-16-8-10-18(25)11-9-16/h1-13H,14-15H2,(H,26,28)
InChIKeyCTMWKMMZLIVWDX-UHFFFAOYSA-N
MW501.38 g/mol
LogP5.16
Rot. Bonds6

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

N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30560732) has the molecular formula C23H18BrFN2O3S and a molecular weight of 501.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30560732
Molecular FormulaC23H18BrFN2O3S
Molecular Weight501.38 g/mol
Exact Mass500.02
IUPAC NameN-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1
InChIInChI=1S/C23H18BrFN2O3S/c24-17-4-3-5-19(12-17)26-23(28)14-27-13-22(20-6-1-2-7-21(20)27)31(29,30)15-16-8-10-18(25)11-9-16/h1-13H,14-15H2,(H,26,28)
InChIKeyCTMWKMMZLIVWDX-UHFFFAOYSA-N
XLogP5.16
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560784
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30560732) is N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is CTMWKMMZLIVWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN2O3S/c24-17-4-3-5-19(12-17)26-23(28)14-27-13-22(20-6-1-2-7-21(20)27)31(29,30)15-16-8-10-18(25)11-9-16/h1-13H,14-15H2,(H,26,28).
What are the key properties of N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 501.38 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30560732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).