5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C23H20F3NO5S2 — CID 57430764

IUPAC5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C23H20F3NO5S2/c1-32-18-8-7-15-11-17(12-16(15)13-18)27-34(30,31)22-14-20(9-10-21(22)23(24,25)26)33(28,29)19-5-3-2-4-6-19/h2-10,13-14,17,27H,11-12H2,1H3
InChIKeyILLGKRBEOISWES-UHFFFAOYSA-N
MW511.54 g/mol
LogP3.99
Rot. Bonds6

About 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide

5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 57430764) has the molecular formula C23H20F3NO5S2 and a molecular weight of 511.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID57430764
Molecular FormulaC23H20F3NO5S2
Molecular Weight511.54 g/mol
Exact Mass511.07
IUPAC Name5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C23H20F3NO5S2/c1-32-18-8-7-15-11-17(12-16(15)13-18)27-34(30,31)22-14-20(9-10-21(22)23(24,25)26)33(28,29)19-5-3-2-4-6-19/h2-10,13-14,17,27H,11-12H2,1H3
InChIKeyILLGKRBEOISWES-UHFFFAOYSA-N
XLogP3.99
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-N-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 57430765
methyl 3-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 57430536
5-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430693
5-(benzenesulfonyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430553
5-(benzenesulfonyl)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 129394853
5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 69116587
5-(benzenesulfonyl)-N-[1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 25187115
5-(benzenesulfonyl)-N-(2-iodo-1-phenacylpiperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 69116129
5-(benzenesulfonyl)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 57430520
2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25025868
5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonyl chloride
CID 25189329
[2-[(2-tert-butylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl] acetate
CID 69187671

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 57430764) is 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide is COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2.
What is the InChIKey of 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ILLGKRBEOISWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO5S2/c1-32-18-8-7-15-11-17(12-16(15)13-18)27-34(30,31)22-14-20(9-10-21(22)23(24,25)26)33(28,29)19-5-3-2-4-6-19/h2-10,13-14,17,27H,11-12H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 511.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57430764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).