N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide

C17H14ClF3N2O3S — CID 162768159

IUPACN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O3S/c18-12-4-7-14-11(9-12)3-8-15(14)22-16(24)10-1-5-13(6-2-10)23-27(25,26)17(19,20)21/h1-2,4-7,9,15,23H,3,8H2,(H,22,24)/t15-/m0/s1
InChIKeyIQSOVVXLPFCMCF-HNNXBMFYSA-N
MW418.82 g/mol
LogP4.02
Rot. Bonds4

About N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide (PubChem CID 162768159) has the molecular formula C17H14ClF3N2O3S and a molecular weight of 418.82 g/mol. Its IUPAC name is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
PubChem CID162768159
Molecular FormulaC17H14ClF3N2O3S
Molecular Weight418.82 g/mol
Exact Mass418.04
IUPAC NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O3S/c18-12-4-7-14-11(9-12)3-8-15(14)22-16(24)10-1-5-13(6-2-10)23-27(25,26)17(19,20)21/h1-2,4-7,9,15,23H,3,8H2,(H,22,24)/t15-/m0/s1
InChIKeyIQSOVVXLPFCMCF-HNNXBMFYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167189010
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
CID 164939981
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide?
The IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide (CID 162768159) is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide.
What is the SMILES notation for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide?
The canonical SMILES for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide is O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide?
The InChIKey is IQSOVVXLPFCMCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3S/c18-12-4-7-14-11(9-12)3-8-15(14)22-16(24)10-1-5-13(6-2-10)23-27(25,26)17(19,20)21/h1-2,4-7,9,15,23H,3,8H2,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide?
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide has a molecular weight of 418.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide is sourced from PubChem (CID 162768159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).