1H-indole-6-sulfonic acid;hydrochloride

C8H8ClNO3S — CID 174816871

IUPAC1H-indole-6-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C8H7NO3S.ClH/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7;/h1-5,9H,(H,10,11,12);1H
InChIKeyRLXXBZTZXBWUEW-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.84
Rot. Bonds1

About 1H-indole-6-sulfonic acid;hydrochloride

1H-indole-6-sulfonic acid;hydrochloride (PubChem CID 174816871) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 1H-indole-6-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name1H-indole-6-sulfonic acid;hydrochloride
PubChem CID174816871
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name1H-indole-6-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C8H7NO3S.ClH/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7;/h1-5,9H,(H,10,11,12);1H
InChIKeyRLXXBZTZXBWUEW-UHFFFAOYSA-N
XLogP1.84
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethane;6-propylsulfonyl-1H-indole
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methanesulfonic acid;methyl 1H-indole-6-carboxylate
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tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
CID 69231502
ethane;1H-indole-6-carboxylic acid
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naphthalene-2-sulfonic acid
CID 8420
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naphthalene-2-sulfonic acid;zinc
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naphthalene-2,3,6-trisulfonic acid
CID 42609669
CID 88530425
CID 88530425
CID 87246277
CID 87246277
CID 87440043
CID 87440043

Frequently Asked Questions

What is the IUPAC name of 1H-indole-6-sulfonic acid;hydrochloride?
The IUPAC name of 1H-indole-6-sulfonic acid;hydrochloride (CID 174816871) is 1H-indole-6-sulfonic acid;hydrochloride.
What is the SMILES notation for 1H-indole-6-sulfonic acid;hydrochloride?
The canonical SMILES for 1H-indole-6-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indole-6-sulfonic acid;hydrochloride?
The InChIKey is RLXXBZTZXBWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S.ClH/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7;/h1-5,9H,(H,10,11,12);1H.
What are the key properties of 1H-indole-6-sulfonic acid;hydrochloride?
1H-indole-6-sulfonic acid;hydrochloride has a molecular weight of 233.68 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-6-sulfonic acid;hydrochloride is sourced from PubChem (CID 174816871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).