5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H20ClF3N2O3S — CID 59943897

IUPAC5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)NC1Cc2ccc(NC(=O)c3cc(Cl)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C24H20ClF3N2O3S/c1-34(32,33)30-20-10-15-4-8-19(11-16(15)12-20)29-23(31)22-13-18(25)7-9-21(22)14-2-5-17(6-3-14)24(26,27)28/h2-9,11,13,20,30H,10,12H2,1H3,(H,29,31)
InChIKeyVPYWQFUIJAGCBU-UHFFFAOYSA-N
MW508.95 g/mol
LogP5.29
Rot. Bonds5

About 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 59943897) has the molecular formula C24H20ClF3N2O3S and a molecular weight of 508.95 g/mol. Its IUPAC name is 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID59943897
Molecular FormulaC24H20ClF3N2O3S
Molecular Weight508.95 g/mol
Exact Mass508.08
IUPAC Name5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)NC1Cc2ccc(NC(=O)c3cc(Cl)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C24H20ClF3N2O3S/c1-34(32,33)30-20-10-15-4-8-19(11-16(15)12-20)29-23(31)22-13-18(25)7-9-21(22)14-2-5-17(6-3-14)24(26,27)28/h2-9,11,13,20,30H,10,12H2,1H3,(H,29,31)
InChIKeyVPYWQFUIJAGCBU-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.95
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002843
2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
CID 59943799
2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 59943857
N-[2-(ethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943858
N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 139919278
methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59943754
N-[2-(propylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943847
N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943905
N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002840
N-[2-(methanesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 11027521
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 59943897) is 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is CS(=O)(=O)NC1Cc2ccc(NC(=O)c3cc(Cl)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1.
What is the InChIKey of 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VPYWQFUIJAGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O3S/c1-34(32,33)30-20-10-15-4-8-19(11-16(15)12-20)29-23(31)22-13-18(25)7-9-21(22)14-2-5-17(6-3-14)24(26,27)28/h2-9,11,13,20,30H,10,12H2,1H3,(H,29,31).
What are the key properties of 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 508.95 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59943897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).