[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride

C10H13Cl2N3O5S — CID 23368565

IUPAC[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
SMILESCl.NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O
InChIInChI=1S/C10H12ClN3O5S.ClH/c11-6-1-2-9-8(3-6)10(14-19-9)17-4-7(12)5-18-20(13,15)16;/h1-3,7H,4-5,12H2,(H2,13,15,16);1H
InChIKeyVZLMQOLFUGTGNT-UHFFFAOYSA-N
MW358.20 g/mol
LogP0.83
Rot. Bonds6

About [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride

[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride (PubChem CID 23368565) has the molecular formula C10H13Cl2N3O5S and a molecular weight of 358.20 g/mol. Its IUPAC name is [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride.

Molecular Properties

Compound Name[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
PubChem CID23368565
Molecular FormulaC10H13Cl2N3O5S
Molecular Weight358.20 g/mol
Exact Mass357.00
IUPAC Name[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
SMILESCl.NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O
InChIInChI=1S/C10H12ClN3O5S.ClH/c11-6-1-2-9-8(3-6)10(14-19-9)17-4-7(12)5-18-20(13,15)16;/h1-3,7H,4-5,12H2,(H2,13,15,16);1H
InChIKeyVZLMQOLFUGTGNT-UHFFFAOYSA-N
XLogP0.83
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride?
The IUPAC name of [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride (CID 23368565) is [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride.
What is the SMILES notation for [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride?
The canonical SMILES for [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride is Cl.NC(COc1noc2ccc(Cl)cc12)COS(N)(=O)=O.
What is the InChIKey of [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride?
The InChIKey is VZLMQOLFUGTGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5S.ClH/c11-6-1-2-9-8(3-6)10(14-19-9)17-4-7(12)5-18-20(13,15)16;/h1-3,7H,4-5,12H2,(H2,13,15,16);1H.
What are the key properties of [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride?
[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride has a molecular weight of 358.20 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride is sourced from PubChem (CID 23368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).