N-hydroxy-1-methylindole-3-sulfonamide

C9H10N2O3S — CID 82287794

IUPACN-hydroxy-1-methylindole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NO)c2ccccc21
InChIInChI=1S/C9H10N2O3S/c1-11-6-9(15(13,14)10-12)7-4-2-3-5-8(7)11/h2-6,10,12H,1H3
InChIKeyTZJNXYPUOLMLLL-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.85
Rot. Bonds2

About N-hydroxy-1-methylindole-3-sulfonamide

N-hydroxy-1-methylindole-3-sulfonamide (PubChem CID 82287794) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-hydroxy-1-methylindole-3-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-1-methylindole-3-sulfonamide
PubChem CID82287794
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-hydroxy-1-methylindole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NO)c2ccccc21
InChIInChI=1S/C9H10N2O3S/c1-11-6-9(15(13,14)10-12)7-4-2-3-5-8(7)11/h2-6,10,12H,1H3
InChIKeyTZJNXYPUOLMLLL-UHFFFAOYSA-N
XLogP0.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184
1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
CID 71967386
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
CID 82487620
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
3-(benzenesulfonylmethyl)-1-methylindole
CID 146164754
[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 166081390
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methylindole-3-sulfonamide?
The IUPAC name of N-hydroxy-1-methylindole-3-sulfonamide (CID 82287794) is N-hydroxy-1-methylindole-3-sulfonamide.
What is the SMILES notation for N-hydroxy-1-methylindole-3-sulfonamide?
The canonical SMILES for N-hydroxy-1-methylindole-3-sulfonamide is Cn1cc(S(=O)(=O)NO)c2ccccc21.
What is the InChIKey of N-hydroxy-1-methylindole-3-sulfonamide?
The InChIKey is TZJNXYPUOLMLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-11-6-9(15(13,14)10-12)7-4-2-3-5-8(7)11/h2-6,10,12H,1H3.
What are the key properties of N-hydroxy-1-methylindole-3-sulfonamide?
N-hydroxy-1-methylindole-3-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methylindole-3-sulfonamide is sourced from PubChem (CID 82287794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).