4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C9H12N6O2S — CID 55207573

IUPAC4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1nn[nH]n1
InChIInChI=1S/C9H12N6O2S/c1-6(9-11-14-15-12-9)13-18(16,17)8-4-2-7(10)3-5-8/h2-6,13H,10H2,1H3,(H,11,12,14,15)
InChIKeyAPIKTJGODDYLMI-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.18
Rot. Bonds4

About 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 55207573) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID55207573
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1nn[nH]n1
InChIInChI=1S/C9H12N6O2S/c1-6(9-11-14-15-12-9)13-18(16,17)8-4-2-7(10)3-5-8/h2-6,13H,10H2,1H3,(H,11,12,14,15)
InChIKeyAPIKTJGODDYLMI-UHFFFAOYSA-N
XLogP-0.18
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 62158794
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106919313
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040
5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
3-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103301307
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 55207573) is 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1)c1nn[nH]n1.
What is the InChIKey of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is APIKTJGODDYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-6(9-11-14-15-12-9)13-18(16,17)8-4-2-7(10)3-5-8/h2-6,13H,10H2,1H3,(H,11,12,14,15).
What are the key properties of 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55207573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).