4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide

C25H25ClN2O3S — CID 133188789

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25ClN2O3S/c1-17(20-7-6-18-4-3-5-21(18)16-20)27-25(29)19-8-12-23(13-9-19)28(2)32(30,31)24-14-10-22(26)11-15-24/h6-17H,3-5H2,1-2H3,(H,27,29)
InChIKeyQOAMONHYLXOSSK-UHFFFAOYSA-N
MW469.01 g/mol
LogP5.14
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide (PubChem CID 133188789) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
PubChem CID133188789
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25ClN2O3S/c1-17(20-7-6-18-4-3-5-21(18)16-20)27-25(29)19-8-12-23(13-9-19)28(2)32(30,31)24-14-10-22(26)11-15-24/h6-17H,3-5H2,1-2H3,(H,27,29)
InChIKeyQOAMONHYLXOSSK-UHFFFAOYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 125086770
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188718
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 132673967
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide (CID 133188789) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The InChIKey is QOAMONHYLXOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-17(20-7-6-18-4-3-5-21(18)16-20)27-25(29)19-8-12-23(13-9-19)28(2)32(30,31)24-14-10-22(26)11-15-24/h6-17H,3-5H2,1-2H3,(H,27,29).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide has a molecular weight of 469.01 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide is sourced from PubChem (CID 133188789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).