2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride

C15H16ClN3O2S — CID 68681490

IUPAC2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cccc2c(S(=O)(=O)c3ccccc3)[nH]nc12
InChIInChI=1S/C15H15N3O2S.ClH/c16-10-9-11-5-4-8-13-14(11)17-18-15(13)21(19,20)12-6-2-1-3-7-12;/h1-8H,9-10,16H2,(H,17,18);1H
InChIKeyNWGKUQOLDFNKAD-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.32
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride

2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride (PubChem CID 68681490) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride
PubChem CID68681490
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cccc2c(S(=O)(=O)c3ccccc3)[nH]nc12
InChIInChI=1S/C15H15N3O2S.ClH/c16-10-9-11-5-4-8-13-14(11)17-18-15(13)21(19,20)12-6-2-1-3-7-12;/h1-8H,9-10,16H2,(H,17,18);1H
InChIKeyNWGKUQOLDFNKAD-UHFFFAOYSA-N
XLogP2.32
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-2H-indazole
CID 22250312
3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
CID 24752182
N-[2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethyl]cyclopropanamine;2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethyl 4-methylbenzenesulfonate;cyclopropanamine;oxolane
CID 161040710
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
8-(2-aminoethyl)-3H-quinazolin-4-one
CID 174220949
3-[(5-fluoro-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine;hydrochloride
CID 68679346
3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 10383646
2-[[3-(benzenesulfonyl)-2H-indazol-5-yl]oxy]ethanamine;2-[[3-(benzenesulfonyl)-2H-indazol-5-yl]oxy]ethyl 4-methylbenzenesulfonate
CID 161105900
7-(aminomethyl)-2H-indazole-3-carboxamide
CID 119082894
5-(benzenesulfonyl)-2H-tetrazole
CID 15323576
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
2-[5-(benzenesulfonyl)-2-methyl-1H-indol-3-yl]ethanamine;hydrochloride
CID 18522758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride (CID 68681490) is 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride is Cl.NCCc1cccc2c(S(=O)(=O)c3ccccc3)[nH]nc12.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride?
The InChIKey is NWGKUQOLDFNKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S.ClH/c16-10-9-11-5-4-8-13-14(11)17-18-15(13)21(19,20)12-6-2-1-3-7-12;/h1-8H,9-10,16H2,(H,17,18);1H.
What are the key properties of 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride?
2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2H-indazol-7-yl]ethanamine;hydrochloride is sourced from PubChem (CID 68681490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).