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

C18H18N2O4S — CID 161335547

IUPACN-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide
SMILESCc1cc2c(cc1S(C)(=O)=O)CC(Cc1cccc(C(=O)NO)c1)=N2
InChIInChI=1S/C18H18N2O4S/c1-11-6-16-14(10-17(11)25(2,23)24)9-15(19-16)8-12-4-3-5-13(7-12)18(21)20-22/h3-7,10,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyHSHBKLWIQXTNCB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.39
Rot. Bonds4

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

N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide (PubChem CID 161335547) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide
PubChem CID161335547
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide
SMILESCc1cc2c(cc1S(C)(=O)=O)CC(Cc1cccc(C(=O)NO)c1)=N2
InChIInChI=1S/C18H18N2O4S/c1-11-6-16-14(10-17(11)25(2,23)24)9-15(19-16)8-12-4-3-5-13(7-12)18(21)20-22/h3-7,10,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyHSHBKLWIQXTNCB-UHFFFAOYSA-N
XLogP2.39
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]methyl]-N-methylbenzamide
CID 158989468
N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 160785610
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
tert-butyl-[[3-(hydroxycarbamoyl)phenyl]methyl]carbamic acid
CID 126574790
N-hydroxyacetamide;N-hydroxy-3-prop-2-ynylbenzamide
CID 142235742
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-ethyl-N-methylbenzamide
CID 59115297
N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 157139900
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide (CID 161335547) is N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide is Cc1cc2c(cc1S(C)(=O)=O)CC(Cc1cccc(C(=O)NO)c1)=N2.
What is the InChIKey of N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide?
The InChIKey is HSHBKLWIQXTNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-6-16-14(10-17(11)25(2,23)24)9-15(19-16)8-12-4-3-5-13(7-12)18(21)20-22/h3-7,10,22H,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide?
N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide is sourced from PubChem (CID 161335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).