N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride

C15H19ClN6O3S — CID 120893228

IUPACN-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCc2nc(-c3ccc(CN)cc3)no2)cn1C.Cl
InChIInChI=1S/C15H18N6O3S.ClH/c1-10-18-14(9-21(10)2)25(22,23)17-8-13-19-15(20-24-13)12-5-3-11(7-16)4-6-12;/h3-6,9,17H,7-8,16H2,1-2H3;1H
InChIKeyRFQRDLFJSXVKID-UHFFFAOYSA-N
MW398.88 g/mol
LogP1.14
Rot. Bonds6

About N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride

N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride (PubChem CID 120893228) has the molecular formula C15H19ClN6O3S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
PubChem CID120893228
Molecular FormulaC15H19ClN6O3S
Molecular Weight398.88 g/mol
Exact Mass398.09
IUPAC NameN-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
SMILESCc1nc(S(=O)(=O)NCc2nc(-c3ccc(CN)cc3)no2)cn1C.Cl
InChIInChI=1S/C15H18N6O3S.ClH/c1-10-18-14(9-21(10)2)25(22,23)17-8-13-19-15(20-24-13)12-5-3-11(7-16)4-6-12;/h3-6,9,17H,7-8,16H2,1-2H3;1H
InChIKeyRFQRDLFJSXVKID-UHFFFAOYSA-N
XLogP1.14
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride (CID 120893228) is N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride is Cc1nc(S(=O)(=O)NCc2nc(-c3ccc(CN)cc3)no2)cn1C.Cl.
What is the InChIKey of N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is RFQRDLFJSXVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S.ClH/c1-10-18-14(9-21(10)2)25(22,23)17-8-13-19-15(20-24-13)12-5-3-11(7-16)4-6-12;/h3-6,9,17H,7-8,16H2,1-2H3;1H.
What are the key properties of N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride?
N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 398.88 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).