2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide

C10H13BrN6O3S — CID 106051655

IUPAC2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCc1nn[nH]n1)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C10H13BrN6O3S/c11-10-8(3-7(20-10)4-12-6-1-2-6)21(18,19)13-5-9-14-16-17-15-9/h3,6,12-13H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyQHIKGISEQPHFJT-UHFFFAOYSA-N
MW377.22 g/mol
LogP0.29
Rot. Bonds7

About 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide

2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide (PubChem CID 106051655) has the molecular formula C10H13BrN6O3S and a molecular weight of 377.22 g/mol. Its IUPAC name is 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
PubChem CID106051655
Molecular FormulaC10H13BrN6O3S
Molecular Weight377.22 g/mol
Exact Mass376.00
IUPAC Name2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCc1nn[nH]n1)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C10H13BrN6O3S/c11-10-8(3-7(20-10)4-12-6-1-2-6)21(18,19)13-5-9-14-16-17-15-9/h3,6,12-13H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyQHIKGISEQPHFJT-UHFFFAOYSA-N
XLogP0.29
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide (CID 106051655) is 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide is O=S(=O)(NCc1nn[nH]n1)c1cc(CNC2CC2)oc1Br.
What is the InChIKey of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide?
The InChIKey is QHIKGISEQPHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6O3S/c11-10-8(3-7(20-10)4-12-6-1-2-6)21(18,19)13-5-9-14-16-17-15-9/h3,6,12-13H,1-2,4-5H2,(H,14,15,16,17).
What are the key properties of 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide?
2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide has a molecular weight of 377.22 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 106051655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).