3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C14H15N7O2S — CID 118256973

IUPAC3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(N)ncc1Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c1-8-5-12(15)17-7-10(8)6-9-3-2-4-11(24(16,22)23)13(9)14-18-20-21-19-14/h2-5,7H,6H2,1H3,(H2,15,17)(H2,16,22,23)(H,18,19,20,21)
InChIKeyHTENIEZINREWHQ-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.39
Rot. Bonds4

About 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256973) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256973
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(N)ncc1Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H15N7O2S/c1-8-5-12(15)17-7-10(8)6-9-3-2-4-11(24(16,22)23)13(9)14-18-20-21-19-14/h2-5,7H,6H2,1H3,(H2,15,17)(H2,16,22,23)(H,18,19,20,21)
InChIKeyHTENIEZINREWHQ-UHFFFAOYSA-N
XLogP0.39
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256973) is 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cc(N)ncc1Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is HTENIEZINREWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c1-8-5-12(15)17-7-10(8)6-9-3-2-4-11(24(16,22)23)13(9)14-18-20-21-19-14/h2-5,7H,6H2,1H3,(H2,15,17)(H2,16,22,23)(H,18,19,20,21).
What are the key properties of 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).