N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

C23H18ClFN2O3S — CID 16935990

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C23H18ClFN2O3S/c24-20-7-3-1-5-16(20)13-26-23(28)15-27-14-22(19-6-2-4-8-21(19)27)31(29,30)18-11-9-17(25)10-12-18/h1-12,14H,13,15H2,(H,26,28)
InChIKeyRXBRJWDBONGCEK-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935990) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935990
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C23H18ClFN2O3S/c24-20-7-3-1-5-16(20)13-26-23(28)15-27-14-22(19-6-2-4-8-21(19)27)31(29,30)18-11-9-17(25)10-12-18/h1-12,14H,13,15H2,(H,26,28)
InChIKeyRXBRJWDBONGCEK-UHFFFAOYSA-N
XLogP4.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 30554059
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935809

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16935990) is N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is RXBRJWDBONGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c24-20-7-3-1-5-16(20)13-26-23(28)15-27-14-22(19-6-2-4-8-21(19)27)31(29,30)18-11-9-17(25)10-12-18/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 456.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).