N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide

C11H15N5O2S — CID 3178085

IUPACN-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H15N5O2S/c1-3-9(2)13-19(17,18)11-6-4-10(5-7-11)16-8-12-14-15-16/h4-9,13H,3H2,1-2H3
InChIKeyBOBNHARIXCYBAZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.74
Rot. Bonds5

About N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide

N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3178085) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3178085
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H15N5O2S/c1-3-9(2)13-19(17,18)11-6-4-10(5-7-11)16-8-12-14-15-16/h4-9,13H,3H2,1-2H3
InChIKeyBOBNHARIXCYBAZ-UHFFFAOYSA-N
XLogP0.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide (CID 3178085) is N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is BOBNHARIXCYBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-3-9(2)13-19(17,18)11-6-4-10(5-7-11)16-8-12-14-15-16/h4-9,13H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide?
N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3178085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).