6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H18N8O3S2 — CID 145220062

IUPAC6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N
InChIInChI=1S/C15H18N8O3S2/c1-8-6-9(7-19-14(8)17)10-2-3-11(27(24)5-4-16)13(28(18,25)26)12(10)15-20-22-23-21-15/h2-3,6-7H,4-5,16H2,1H3,(H2,17,19)(H2,18,25,26)(H,20,21,22,23)
InChIKeyVPNLMPPQRRQHOD-UHFFFAOYSA-N
MW422.50 g/mol
LogP-0.47
Rot. Bonds6

About 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 145220062) has the molecular formula C15H18N8O3S2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID145220062
Molecular FormulaC15H18N8O3S2
Molecular Weight422.50 g/mol
Exact Mass422.09
IUPAC Name6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N
InChIInChI=1S/C15H18N8O3S2/c1-8-6-9(7-19-14(8)17)10-2-3-11(27(24)5-4-16)13(28(18,25)26)12(10)15-20-22-23-21-15/h2-3,6-7H,4-5,16H2,1H3,(H2,17,19)(H2,18,25,26)(H,20,21,22,23)
InChIKeyVPNLMPPQRRQHOD-UHFFFAOYSA-N
XLogP-0.47
TPSA196.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-aminoethylsulfinyl)-3-(4-oxo-3H-quinazolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145214938
6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145214552
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420
3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149948
6-[(4-aminocyclohexyl)methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266265
S-[3-(6-amino-3-pyridinyl)-6-methylsulfinyl-2-(2H-tetrazol-5-yl)phenyl]thiohydroxylamine
CID 145214498
3-[4-(aminomethyl)phenyl]-6-bromo-2-(2H-tetrazol-5-yl)benzenesulfonamide;ethane
CID 144893208
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122694450
6-(azetidin-3-ylsulfonyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;methane
CID 145214723
6-(2-aminoethylsulfinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfinamide
CID 145214736

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 145220062) is 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N.
What is the InChIKey of 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is VPNLMPPQRRQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O3S2/c1-8-6-9(7-19-14(8)17)10-2-3-11(27(24)5-4-16)13(28(18,25)26)12(10)15-20-22-23-21-15/h2-3,6-7H,4-5,16H2,1H3,(H2,17,19)(H2,18,25,26)(H,20,21,22,23).
What are the key properties of 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 422.50 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145220062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).