N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide

C16H20N4O2S — CID 167886355

IUPACN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)C1CC2CCCC21
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-9-12-7-4-8-13(12)14)17-10-15-18-16(20-19-15)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2,(H,18,19,20)
InChIKeyUDZDIHWMAYWZDP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.08
Rot. Bonds5

About N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide

N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide (PubChem CID 167886355) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide
PubChem CID167886355
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)C1CC2CCCC21
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-9-12-7-4-8-13(12)14)17-10-15-18-16(20-19-15)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2,(H,18,19,20)
InChIKeyUDZDIHWMAYWZDP-UHFFFAOYSA-N
XLogP2.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide?
The IUPAC name of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide (CID 167886355) is N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide.
What is the SMILES notation for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide?
The canonical SMILES for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide is O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)C1CC2CCCC21.
What is the InChIKey of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide?
The InChIKey is UDZDIHWMAYWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,14-9-12-7-4-8-13(12)14)17-10-15-18-16(20-19-15)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2,(H,18,19,20).
What are the key properties of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide?
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]bicyclo[3.2.0]heptane-6-sulfonamide is sourced from PubChem (CID 167886355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).