4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide

C9H13N7O2S — CID 82907095

IUPAC4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cc(S(N)(=O)=O)ccc1N)c1nn[nH]n1
InChIInChI=1S/C9H13N7O2S/c1-5(9-13-15-16-14-9)12-8-4-6(19(11,17)18)2-3-7(8)10/h2-5,12H,10H2,1H3,(H2,11,17,18)(H,13,14,15,16)
InChIKeyOKULXLVXSQSSDU-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.40
Rot. Bonds4

About 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide

4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 82907095) has the molecular formula C9H13N7O2S and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID82907095
Molecular FormulaC9H13N7O2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cc(S(N)(=O)=O)ccc1N)c1nn[nH]n1
InChIInChI=1S/C9H13N7O2S/c1-5(9-13-15-16-14-9)12-8-4-6(19(11,17)18)2-3-7(8)10/h2-5,12H,10H2,1H3,(H2,11,17,18)(H,13,14,15,16)
InChIKeyOKULXLVXSQSSDU-UHFFFAOYSA-N
XLogP-0.40
TPSA152.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
CID 82989343
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
CID 82898469
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
4-nitro-1-N-[1-(2H-tetrazol-5-yl)ethyl]benzene-1,3-diamine
CID 106749198

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide (CID 82907095) is 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide is CC(Nc1cc(S(N)(=O)=O)ccc1N)c1nn[nH]n1.
What is the InChIKey of 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is OKULXLVXSQSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2S/c1-5(9-13-15-16-14-9)12-8-4-6(19(11,17)18)2-3-7(8)10/h2-5,12H,10H2,1H3,(H2,11,17,18)(H,13,14,15,16).
What are the key properties of 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide?
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82907095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).