[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride

C15H15ClN2O2S — CID 68718223

IUPAC[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S.ClH/c16-11-12-5-4-8-15-14(12)9-10-17(15)20(18,19)13-6-2-1-3-7-13;/h1-10H,11,16H2;1H
InChIKeySYEGBALVBBMGGM-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.76
Rot. Bonds3

About [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride

[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride (PubChem CID 68718223) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
PubChem CID68718223
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S.ClH/c16-11-12-5-4-8-15-14(12)9-10-17(15)20(18,19)13-6-2-1-3-7-13;/h1-10H,11,16H2;1H
InChIKeySYEGBALVBBMGGM-UHFFFAOYSA-N
XLogP2.76
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride (CID 68718223) is [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride is Cl.NCc1cccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride?
The InChIKey is SYEGBALVBBMGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S.ClH/c16-11-12-5-4-8-15-14(12)9-10-17(15)20(18,19)13-6-2-1-3-7-13;/h1-10H,11,16H2;1H.
What are the key properties of [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride?
[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride has a molecular weight of 322.82 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 68718223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).