2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide

C15H20N6O4S — CID 137499787

IUPAC2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1
InChIInChI=1S/C15H20N6O4S/c16-14(22)9-17-26(23,24)13-6-4-11(5-7-13)15-18-20-21(19-15)10-12-3-1-2-8-25-12/h4-7,12,17H,1-3,8-10H2,(H2,16,22)
InChIKeyWUZZXUFIAUIQGR-UHFFFAOYSA-N
MW380.43 g/mol
LogP-0.33
Rot. Bonds7

About 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide

2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide (PubChem CID 137499787) has the molecular formula C15H20N6O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide
PubChem CID137499787
Molecular FormulaC15H20N6O4S
Molecular Weight380.43 g/mol
Exact Mass380.13
IUPAC Name2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1
InChIInChI=1S/C15H20N6O4S/c16-14(22)9-17-26(23,24)13-6-4-11(5-7-13)15-18-20-21(19-15)10-12-3-1-2-8-25-12/h4-7,12,17H,1-3,8-10H2,(H2,16,22)
InChIKeyWUZZXUFIAUIQGR-UHFFFAOYSA-N
XLogP-0.33
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide (CID 137499787) is 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(-c2nnn(CC3CCCCO3)n2)cc1.
What is the InChIKey of 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The InChIKey is WUZZXUFIAUIQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4S/c16-14(22)9-17-26(23,24)13-6-4-11(5-7-13)15-18-20-21(19-15)10-12-3-1-2-8-25-12/h4-7,12,17H,1-3,8-10H2,(H2,16,22).
What are the key properties of 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide has a molecular weight of 380.43 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 137499787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).