3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C29H25ClFN3O3S — CID 23388738

IUPAC3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C(=O)c2cccc(Cl)c2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CC3)n1
InChIInChI=1S/C29H25ClFN3O3S/c1-19-4-2-7-24(32-19)18-34(29(35)21-5-3-6-22(30)16-21)25-12-8-20-9-15-28(27(20)17-25)33-38(36,37)26-13-10-23(31)11-14-26/h2-8,10-14,16-17,28,33H,9,15,18H2,1H3
InChIKeyIULJUFAXJRKEIQ-UHFFFAOYSA-N
MW550.06 g/mol
LogP6.00
Rot. Bonds7

About 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 23388738) has the molecular formula C29H25ClFN3O3S and a molecular weight of 550.06 g/mol. Its IUPAC name is 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID23388738
Molecular FormulaC29H25ClFN3O3S
Molecular Weight550.06 g/mol
Exact Mass549.13
IUPAC Name3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C(=O)c2cccc(Cl)c2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CC3)n1
InChIInChI=1S/C29H25ClFN3O3S/c1-19-4-2-7-24(32-19)18-34(29(35)21-5-3-6-22(30)16-21)25-12-8-20-9-15-28(27(20)17-25)33-38(36,37)26-13-10-23(31)11-14-26/h2-8,10-14,16-17,28,33H,9,15,18H2,1H3
InChIKeyIULJUFAXJRKEIQ-UHFFFAOYSA-N
XLogP6.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.06
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 23388738) is 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CN(C(=O)c2cccc(Cl)c2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CC3)n1.
What is the InChIKey of 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is IULJUFAXJRKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClFN3O3S/c1-19-4-2-7-24(32-19)18-34(29(35)21-5-3-6-22(30)16-21)25-12-8-20-9-15-28(27(20)17-25)33-38(36,37)26-13-10-23(31)11-14-26/h2-8,10-14,16-17,28,33H,9,15,18H2,1H3.
What are the key properties of 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 550.06 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 23388738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).