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

C19H17F3N2O3S — CID 162619624

IUPAC4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)/N=C/C2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C19H17F3N2O3S/c1-28(26,27)24-16-7-4-12(5-8-16)18(25)23-11-14-3-2-13-10-15(19(20,21)22)6-9-17(13)14/h4-11,14,24H,2-3H2,1H3/b23-11+
InChIKeyONYCUZLECLCDAZ-FOKLQQMPSA-N
MW410.42 g/mol
LogP4.02
Rot. Bonds4

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

4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide (PubChem CID 162619624) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide
PubChem CID162619624
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)/N=C/C2CCc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C19H17F3N2O3S/c1-28(26,27)24-16-7-4-12(5-8-16)18(25)23-11-14-3-2-13-10-15(19(20,21)22)6-9-17(13)14/h4-11,14,24H,2-3H2,1H3/b23-11+
InChIKeyONYCUZLECLCDAZ-FOKLQQMPSA-N
XLogP4.02
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide (CID 162619624) is 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide is CS(=O)(=O)Nc1ccc(C(=O)/N=C/C2CCc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide?
The InChIKey is ONYCUZLECLCDAZ-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-28(26,27)24-16-7-4-12(5-8-16)18(25)23-11-14-3-2-13-10-15(19(20,21)22)6-9-17(13)14/h4-11,14,24H,2-3H2,1H3/b23-11+.
What are the key properties of 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide?
4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide has a molecular weight of 410.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]methylidene]benzamide is sourced from PubChem (CID 162619624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).