N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide

C15H20N6O2S — CID 122139119

IUPACN-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H20N6O2S/c22-24(23,17-12-6-4-5-7-12)14-10-20(11-14)15-16-18-19-21(15)13-8-2-1-3-9-13/h1-3,8-9,12,14,17H,4-7,10-11H2
InChIKeyFPAFOHFBPWMKMJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.71
Rot. Bonds5

About N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide

N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide (PubChem CID 122139119) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
PubChem CID122139119
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H20N6O2S/c22-24(23,17-12-6-4-5-7-12)14-10-20(11-14)15-16-18-19-21(15)13-8-2-1-3-9-13/h1-3,8-9,12,14,17H,4-7,10-11H2
InChIKeyFPAFOHFBPWMKMJ-UHFFFAOYSA-N
XLogP0.71
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide (CID 122139119) is N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide is O=S(=O)(NC1CCCC1)C1CN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide?
The InChIKey is FPAFOHFBPWMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c22-24(23,17-12-6-4-5-7-12)14-10-20(11-14)15-16-18-19-21(15)13-8-2-1-3-9-13/h1-3,8-9,12,14,17H,4-7,10-11H2.
What are the key properties of N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide?
N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide is sourced from PubChem (CID 122139119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).