4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide

C10H14N6O2S — CID 82228095

IUPAC4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
SMILESNCCCc1nnnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N6O2S/c11-7-1-2-10-13-14-15-16(10)8-3-5-9(6-4-8)19(12,17)18/h3-6H,1-2,7,11H2,(H2,12,17,18)
InChIKeyZDXNIOQGWZBHMX-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.80
Rot. Bonds5

About 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide

4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide (PubChem CID 82228095) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
PubChem CID82228095
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
SMILESNCCCc1nnnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N6O2S/c11-7-1-2-10-13-14-15-16(10)8-3-5-9(6-4-8)19(12,17)18/h3-6H,1-2,7,11H2,(H2,12,17,18)
InChIKeyZDXNIOQGWZBHMX-UHFFFAOYSA-N
XLogP-0.80
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide (CID 82228095) is 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide is NCCCc1nnnn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide?
The InChIKey is ZDXNIOQGWZBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c11-7-1-2-10-13-14-15-16(10)8-3-5-9(6-4-8)19(12,17)18/h3-6H,1-2,7,11H2,(H2,12,17,18).
What are the key properties of 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide?
4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 82228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).