4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C12H17N5O3S — CID 110720166

IUPAC4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2nn[nH]n2)cc1C
InChIInChI=1S/C12H17N5O3S/c1-4-20-10-5-9(3)11(6-8(10)2)21(18,19)13-7-12-14-16-17-15-12/h5-6,13H,4,7H2,1-3H3,(H,14,15,16,17)
InChIKeyYKBMCXOLDXYGEX-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.69
Rot. Bonds6

About 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 110720166) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID110720166
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2nn[nH]n2)cc1C
InChIInChI=1S/C12H17N5O3S/c1-4-20-10-5-9(3)11(6-8(10)2)21(18,19)13-7-12-14-16-17-15-12/h5-6,13H,4,7H2,1-3H3,(H,14,15,16,17)
InChIKeyYKBMCXOLDXYGEX-UHFFFAOYSA-N
XLogP0.69
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 110357493
4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731910
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110415785
5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051610
5-(hydroxymethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
CID 114134553
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 110720166) is 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCc2nn[nH]n2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is YKBMCXOLDXYGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-4-20-10-5-9(3)11(6-8(10)2)21(18,19)13-7-12-14-16-17-15-12/h5-6,13H,4,7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110720166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).