N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide

C17H14F3N3O4S — CID 160785610

IUPACN-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
SMILESCS(=O)(=O)c1cc2c(cc1C(F)(F)F)CC(Nc1cccc(C(=O)NO)c1)=N2
InChIInChI=1S/C17H14F3N3O4S/c1-28(26,27)14-8-13-10(6-12(14)17(18,19)20)7-15(22-13)21-11-4-2-3-9(5-11)16(24)23-25/h2-6,8,25H,7H2,1H3,(H,21,22)(H,23,24)
InChIKeySBDXHXVILGWSIT-UHFFFAOYSA-N
MW413.38 g/mol
LogP2.93
Rot. Bonds3

About N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide

N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide (PubChem CID 160785610) has the molecular formula C17H14F3N3O4S and a molecular weight of 413.38 g/mol. Its IUPAC name is N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
PubChem CID160785610
Molecular FormulaC17H14F3N3O4S
Molecular Weight413.38 g/mol
Exact Mass413.07
IUPAC NameN-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
SMILESCS(=O)(=O)c1cc2c(cc1C(F)(F)F)CC(Nc1cccc(C(=O)NO)c1)=N2
InChIInChI=1S/C17H14F3N3O4S/c1-28(26,27)14-8-13-10(6-12(14)17(18,19)20)7-15(22-13)21-11-4-2-3-9(5-11)16(24)23-25/h2-6,8,25H,7H2,1H3,(H,21,22)(H,23,24)
InChIKeySBDXHXVILGWSIT-UHFFFAOYSA-N
XLogP2.93
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093
3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
CID 149003619
N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 157139900
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 157203662
N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide
CID 161335547
3-[(6-chloro-5-nitro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 158760092
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
3-[(5-cyano-6-methylsulfonyl-1H-benzimidazol-2-yl)amino]-N-hydroxybenzamide
CID 134459637
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide
CID 158989468

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The IUPAC name of N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide (CID 160785610) is N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide is CS(=O)(=O)c1cc2c(cc1C(F)(F)F)CC(Nc1cccc(C(=O)NO)c1)=N2.
What is the InChIKey of N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The InChIKey is SBDXHXVILGWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4S/c1-28(26,27)14-8-13-10(6-12(14)17(18,19)20)7-15(22-13)21-11-4-2-3-9(5-11)16(24)23-25/h2-6,8,25H,7H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide has a molecular weight of 413.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide is sourced from PubChem (CID 160785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).