1-methyl-2-phenylindole-5-sulfonic acid

C15H13NO3S — CID 15768512

IUPAC1-methyl-2-phenylindole-5-sulfonic acid
SMILESCn1c(-c2ccccc2)cc2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C15H13NO3S/c1-16-14-8-7-13(20(17,18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19)
InChIKeyBISDQDULBWQVRY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.09
Rot. Bonds2

About 1-methyl-2-phenylindole-5-sulfonic acid

1-methyl-2-phenylindole-5-sulfonic acid (PubChem CID 15768512) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-methyl-2-phenylindole-5-sulfonic acid.

Molecular Properties

Compound Name1-methyl-2-phenylindole-5-sulfonic acid
PubChem CID15768512
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-methyl-2-phenylindole-5-sulfonic acid
SMILESCn1c(-c2ccccc2)cc2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C15H13NO3S/c1-16-14-8-7-13(20(17,18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19)
InChIKeyBISDQDULBWQVRY-UHFFFAOYSA-N
XLogP3.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-phenylbenzo[f]indole-6,8-disulfonic acid
CID 19690644
benzene;1-methyl-2-phenylindole
CID 158316839
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
CID 11242498
4-(1-methyl-2-phenylindol-5-yl)morpholine
CID 102182006
4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid
CID 4128373
(4Z)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-(4-phenylphenyl)quinoline-6-sulfonic acid
CID 6016846
5-(benzenesulfonyl)-1,2-diphenylindole
CID 21424353
naphthalene-2-sulfonic acid
CID 8420
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
tetracene-2-sulfonic acid
CID 21483873

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylindole-5-sulfonic acid?
The IUPAC name of 1-methyl-2-phenylindole-5-sulfonic acid (CID 15768512) is 1-methyl-2-phenylindole-5-sulfonic acid.
What is the SMILES notation for 1-methyl-2-phenylindole-5-sulfonic acid?
The canonical SMILES for 1-methyl-2-phenylindole-5-sulfonic acid is Cn1c(-c2ccccc2)cc2cc(S(=O)(=O)O)ccc21.
What is the InChIKey of 1-methyl-2-phenylindole-5-sulfonic acid?
The InChIKey is BISDQDULBWQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-16-14-8-7-13(20(17,18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19).
What are the key properties of 1-methyl-2-phenylindole-5-sulfonic acid?
1-methyl-2-phenylindole-5-sulfonic acid has a molecular weight of 287.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylindole-5-sulfonic acid is sourced from PubChem (CID 15768512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).