4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C14H15N7O2S — CID 3053094

IUPAC4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2ccccn2)cc1
InChIInChI=1S/C14H15N7O2S/c15-11-4-6-12(7-5-11)24(22,23)21(14-3-1-2-9-16-14)10-8-13-17-19-20-18-13/h1-7,9H,8,10,15H2,(H,17,18,19,20)
InChIKeyCZSHNVBLPFCMFV-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.61
Rot. Bonds6

About 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 3053094) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID3053094
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2ccccn2)cc1
InChIInChI=1S/C14H15N7O2S/c15-11-4-6-12(7-5-11)24(22,23)21(14-3-1-2-9-16-14)10-8-13-17-19-20-18-13/h1-7,9H,8,10,15H2,(H,17,18,19,20)
InChIKeyCZSHNVBLPFCMFV-UHFFFAOYSA-N
XLogP0.61
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 3053094) is 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)N(CCc2nn[nH]n2)c2ccccn2)cc1.
What is the InChIKey of 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is CZSHNVBLPFCMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c15-11-4-6-12(7-5-11)24(22,23)21(14-3-1-2-9-16-14)10-8-13-17-19-20-18-13/h1-7,9H,8,10,15H2,(H,17,18,19,20).
What are the key properties of 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3053094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).