N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C15H16N6O2S — CID 137499753

IUPACN-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H16N6O2S/c1-2-17-24(22,23)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-7-9-16-10-8-12/h3-10,17H,2,11H2,1H3
InChIKeyAJADFGUOZMJSTL-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.08
Rot. Bonds6

About N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499753) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499753
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H16N6O2S/c1-2-17-24(22,23)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-7-9-16-10-8-12/h3-10,17H,2,11H2,1H3
InChIKeyAJADFGUOZMJSTL-UHFFFAOYSA-N
XLogP1.08
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
Isonicotinaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
CID 6875437
Nicotinaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
CID 9615677
N-benzyl-1-(methylsulfonyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 2979862
4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 162670399

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499753) is N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1.
What is the InChIKey of N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is AJADFGUOZMJSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-17-24(22,23)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-7-9-16-10-8-12/h3-10,17H,2,11H2,1H3.
What are the key properties of N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).