4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine

C16H22N8O4S — CID 55626704

IUPAC4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
SMILESCCCCn1nnnc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H22N8O4S/c1-2-3-6-23-16(18-19-21-23)12-28-24-15-11-13(4-5-14(15)17-20-24)29(25,26)22-7-9-27-10-8-22/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyXOPJCHQJLAIROC-UHFFFAOYSA-N
MW422.47 g/mol
LogP-0.13
Rot. Bonds8

About 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine

4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine (PubChem CID 55626704) has the molecular formula C16H22N8O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
PubChem CID55626704
Molecular FormulaC16H22N8O4S
Molecular Weight422.47 g/mol
Exact Mass422.15
IUPAC Name4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
SMILESCCCCn1nnnc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H22N8O4S/c1-2-3-6-23-16(18-19-21-23)12-28-24-15-11-13(4-5-14(15)17-20-24)29(25,26)22-7-9-27-10-8-22/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyXOPJCHQJLAIROC-UHFFFAOYSA-N
XLogP-0.13
TPSA130.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole
CID 7671415
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
CID 24581806
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
CID 24512070
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-methylphenyl)methoxy]benzotriazole
CID 7714335
2-ethoxyethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 55354979
4-[2-[(2,4-difluorophenoxy)methyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine
CID 38934914
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
1-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788491

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine (CID 55626704) is 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine is CCCCn1nnnc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine?
The InChIKey is XOPJCHQJLAIROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O4S/c1-2-3-6-23-16(18-19-21-23)12-28-24-15-11-13(4-5-14(15)17-20-24)29(25,26)22-7-9-27-10-8-22/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine?
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine has a molecular weight of 422.47 g/mol, XLogP of -0.13, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine is sourced from PubChem (CID 55626704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).