3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C13H13N7O2S — CID 118266195

IUPAC3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H13N7O2S/c14-6-9-5-4-8(7-16-9)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-5,7H,6,14H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyNQPPQVZNAJFPCA-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.03
Rot. Bonds4

About 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266195) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266195
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H13N7O2S/c14-6-9-5-4-8(7-16-9)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-5,7H,6,14H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyNQPPQVZNAJFPCA-UHFFFAOYSA-N
XLogP0.03
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-(pyridin-2-ylmethyl)-N-[4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
CID 46891424
2-phenyl-6-[2-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine
CID 58210962
3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
3-quinolin-4-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265930
3-(6-amino-4-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266353
3-(6-amino-3-pyridyl)-6-(4-piperidylmethyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
3-(6-amino-5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266107
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(2-fluoropyridin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823488
3-(6-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823490
3-(5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823509
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266099

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266195) is 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NCc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is NQPPQVZNAJFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-6-9-5-4-8(7-16-9)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-5,7H,6,14H2,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).