(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride

C15H17Cl2N3O2S — CID 130344834

IUPAC(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN
InChIInChI=1S/C15H15N3O2S.2ClH/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13;;/h2-8,10H,9,16H2,1H3;2*1H
InChIKeyVEADUVFVPRGIAB-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.71
Rot. Bonds3

About (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride

(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 130344834) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride
PubChem CID130344834
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC Name(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN
InChIInChI=1S/C15H15N3O2S.2ClH/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13;;/h2-8,10H,9,16H2,1H3;2*1H
InChIKeyVEADUVFVPRGIAB-UHFFFAOYSA-N
XLogP2.71
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride (CID 130344834) is (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride is Cl.Cl.Cn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN.
What is the InChIKey of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is VEADUVFVPRGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S.2ClH/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13;;/h2-8,10H,9,16H2,1H3;2*1H.
What are the key properties of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride?
(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 374.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 130344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).