3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C11H15N5O2S — CID 118256979

IUPAC3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(C)Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H15N5O2S/c1-7(2)6-8-4-3-5-9(19(12,17)18)10(8)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H2,12,17,18)(H,13,14,15,16)
InChIKeyXRCDZUPCWBYRDY-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.71
Rot. Bonds4

About 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256979) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256979
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(C)Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H15N5O2S/c1-7(2)6-8-4-3-5-9(19(12,17)18)10(8)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H2,12,17,18)(H,13,14,15,16)
InChIKeyXRCDZUPCWBYRDY-UHFFFAOYSA-N
XLogP0.71
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256979) is 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is CC(C)Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is XRCDZUPCWBYRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7(2)6-8-4-3-5-9(19(12,17)18)10(8)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H2,12,17,18)(H,13,14,15,16).
What are the key properties of 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).