3-hydroxy-1-methylsulfonylindole-2-carboxamide

C10H10N2O4S — CID 133058196

IUPAC3-hydroxy-1-methylsulfonylindole-2-carboxamide
SMILESCS(=O)(=O)n1c(C(N)=O)c(O)c2ccccc21
InChIInChI=1S/C10H10N2O4S/c1-17(15,16)12-7-5-3-2-4-6(7)9(13)8(12)10(11)14/h2-5,13H,1H3,(H2,11,14)
InChIKeyAXNGRUWWVKJWSG-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.25
Rot. Bonds2

About 3-hydroxy-1-methylsulfonylindole-2-carboxamide

3-hydroxy-1-methylsulfonylindole-2-carboxamide (PubChem CID 133058196) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-hydroxy-1-methylsulfonylindole-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methylsulfonylindole-2-carboxamide
PubChem CID133058196
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name3-hydroxy-1-methylsulfonylindole-2-carboxamide
SMILESCS(=O)(=O)n1c(C(N)=O)c(O)c2ccccc21
InChIInChI=1S/C10H10N2O4S/c1-17(15,16)12-7-5-3-2-4-6(7)9(13)8(12)10(11)14/h2-5,13H,1H3,(H2,11,14)
InChIKeyAXNGRUWWVKJWSG-UHFFFAOYSA-N
XLogP0.25
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
CID 118447336
2-(4-methoxybenzoyl)-1-methylsulfonylindole-3-carbaldehyde
CID 10689676
(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide
CID 164522246
(1-methylsulfonyl-2-phenylindol-3-yl)boronic acid
CID 162416582
1-methyl-3-phenylindole-2-carboxamide
CID 22037826
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
ethyl 3-[(Z)-2-chloro-3-[(1-methylcyclopropyl)amino]-3-oxoprop-1-enyl]-1-methylsulfonylindole-2-carboxylate
CID 134871927
1,3-bis(trifluoromethyl)indole-2-carboxamide
CID 118162026
1-fluoroindazole-3-carboxamide
CID 68893080
9-(2-methylphenyl)sulfonylcarbazole
CID 102076870

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylsulfonylindole-2-carboxamide?
The IUPAC name of 3-hydroxy-1-methylsulfonylindole-2-carboxamide (CID 133058196) is 3-hydroxy-1-methylsulfonylindole-2-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methylsulfonylindole-2-carboxamide?
The canonical SMILES for 3-hydroxy-1-methylsulfonylindole-2-carboxamide is CS(=O)(=O)n1c(C(N)=O)c(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methylsulfonylindole-2-carboxamide?
The InChIKey is AXNGRUWWVKJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-5-3-2-4-6(7)9(13)8(12)10(11)14/h2-5,13H,1H3,(H2,11,14).
What are the key properties of 3-hydroxy-1-methylsulfonylindole-2-carboxamide?
3-hydroxy-1-methylsulfonylindole-2-carboxamide has a molecular weight of 254.27 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methylsulfonylindole-2-carboxamide is sourced from PubChem (CID 133058196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).