4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C9H11N5O2S — CID 118257214

IUPAC4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2nn[nH]n2)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H11N5O2S/c1-5-3-7(9-11-13-14-12-9)8(4-6(5)2)17(10,15)16/h3-4H,1-2H3,(H2,10,15,16)(H,11,12,13,14)
InChIKeyBILCNCVTAIGHNF-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.13
Rot. Bonds2

About 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257214) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257214
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2nn[nH]n2)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H11N5O2S/c1-5-3-7(9-11-13-14-12-9)8(4-6(5)2)17(10,15)16/h3-4H,1-2H3,(H2,10,15,16)(H,11,12,13,14)
InChIKeyBILCNCVTAIGHNF-UHFFFAOYSA-N
XLogP0.13
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257214) is 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cc(-c2nn[nH]n2)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is BILCNCVTAIGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5-3-7(9-11-13-14-12-9)8(4-6(5)2)17(10,15)16/h3-4H,1-2H3,(H2,10,15,16)(H,11,12,13,14).
What are the key properties of 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).