1-methylindole-3-sulfonamide

C9H10N2O2S — CID 18331867

IUPAC1-methylindole-3-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C9H10N2O2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H2,10,12,13)
InChIKeyWSUHENVFEGFSEN-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.83
Rot. Bonds1

About 1-methylindole-3-sulfonamide

1-methylindole-3-sulfonamide (PubChem CID 18331867) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-methylindole-3-sulfonamide.

Molecular Properties

Compound Name1-methylindole-3-sulfonamide
PubChem CID18331867
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-methylindole-3-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C9H10N2O2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H2,10,12,13)
InChIKeyWSUHENVFEGFSEN-UHFFFAOYSA-N
XLogP0.83
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-sulfonamide?
The IUPAC name of 1-methylindole-3-sulfonamide (CID 18331867) is 1-methylindole-3-sulfonamide.
What is the SMILES notation for 1-methylindole-3-sulfonamide?
The canonical SMILES for 1-methylindole-3-sulfonamide is Cn1cc(S(N)(=O)=O)c2ccccc21.
What is the InChIKey of 1-methylindole-3-sulfonamide?
The InChIKey is WSUHENVFEGFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H2,10,12,13).
What are the key properties of 1-methylindole-3-sulfonamide?
1-methylindole-3-sulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-sulfonamide is sourced from PubChem (CID 18331867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).