6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C14H15FN8O4S2 — CID 135149535

IUPAC6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCCS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C14H15FN8O4S2/c15-9-5-7(6-19-13(9)17)8-1-2-10(28(24,25)4-3-16)12(29(18,26)27)11(8)14-20-22-23-21-14/h1-2,5-6H,3-4,16H2,(H2,17,19)(H2,18,26,27)(H,20,21,22,23)
InChIKeyAVJAOKMVROOCDA-UHFFFAOYSA-N
MW442.46 g/mol
LogP-0.97
Rot. Bonds6

About 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149535) has the molecular formula C14H15FN8O4S2 and a molecular weight of 442.46 g/mol. Its IUPAC name is 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149535
Molecular FormulaC14H15FN8O4S2
Molecular Weight442.46 g/mol
Exact Mass442.06
IUPAC Name6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCCS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C14H15FN8O4S2/c15-9-5-7(6-19-13(9)17)8-1-2-10(28(24,25)4-3-16)12(29(18,26)27)11(8)14-20-22-23-21-14/h1-2,5-6H,3-4,16H2,(H2,17,19)(H2,18,26,27)(H,20,21,22,23)
InChIKeyAVJAOKMVROOCDA-UHFFFAOYSA-N
XLogP-0.97
TPSA213.69 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(6-amino-5-fluoro-3-pyridyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266597
US10221163, Example 469
CID 135311277
US10221163, Example 478
CID 135311805
3-(6-amino-5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266107
US10227331, Example 237
CID 124157172
US10227331, Example 271
CID 124157214
US10227331, Example 224
CID 124157316
US10227331, Example 64
CID 124157490
US10221163, Example 196
CID 124158237
US10221163, Example 155
CID 124158281
US10221163, Example 393
CID 124158292
US10221163, Example 479
CID 124158361

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149535) is 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NCCS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is AVJAOKMVROOCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN8O4S2/c15-9-5-7(6-19-13(9)17)8-1-2-10(28(24,25)4-3-16)12(29(18,26)27)11(8)14-20-22-23-21-14/h1-2,5-6H,3-4,16H2,(H2,17,19)(H2,18,26,27)(H,20,21,22,23).
What are the key properties of 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 442.46 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylsulfonyl)-3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).