4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C10H14N6O2S — CID 62157363

IUPAC4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C10H14N6O2S/c1-2-11-8-3-5-9(6-4-8)19(17,18)12-7-10-13-15-16-14-10/h3-6,11-12H,2,7H2,1H3,(H,13,14,15,16)
InChIKeyLOMYAFRWUAACAP-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.11
Rot. Bonds6

About 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 62157363) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID62157363
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C10H14N6O2S/c1-2-11-8-3-5-9(6-4-8)19(17,18)12-7-10-13-15-16-14-10/h3-6,11-12H,2,7H2,1H3,(H,13,14,15,16)
InChIKeyLOMYAFRWUAACAP-UHFFFAOYSA-N
XLogP0.11
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 62157363) is 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is LOMYAFRWUAACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-2-11-8-3-5-9(6-4-8)19(17,18)12-7-10-13-15-16-14-10/h3-6,11-12H,2,7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62157363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).