N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide

C29H25ClN2O3S — CID 101154632

IUPACN-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H25ClN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)/t25-/m0/s1
InChIKeyKAVUYBYDHINKNE-VWLOTQADSA-N
MW517.05 g/mol
LogP6.01
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide

N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide (PubChem CID 101154632) has the molecular formula C29H25ClN2O3S and a molecular weight of 517.05 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
PubChem CID101154632
Molecular FormulaC29H25ClN2O3S
Molecular Weight517.05 g/mol
Exact Mass516.13
IUPAC NameN-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H25ClN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)/t25-/m0/s1
InChIKeyKAVUYBYDHINKNE-VWLOTQADSA-N
XLogP6.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.05
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
CID 101154629
N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943905
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
CID 59943799
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425
N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002840
2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 59943857
N-[2-(2,2-dimethylpropanoylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943718
N-[2-(methanesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 11027521
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
N-[2-(cyclohexylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002817
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide (CID 101154632) is N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide?
The InChIKey is KAVUYBYDHINKNE-VWLOTQADSA-N. The full InChI is InChI=1S/C29H25ClN2O3S/c1-19-6-5-9-27(28(19)20-10-13-23(30)14-11-20)29(33)31-24-15-12-21-16-25(18-22(21)17-24)32-36(34,35)26-7-3-2-4-8-26/h2-15,17,25,32H,16,18H2,1H3,(H,31,33)/t25-/m0/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide?
N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide has a molecular weight of 517.05 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 101154632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).