6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C13H14N8O5S2 — CID 135149948

IUPAC6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCCS(=O)(=O)c1ccc(-c2cnc(=O)[nH]c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C13H14N8O5S2/c14-3-4-27(23,24)9-2-1-8(7-5-16-13(22)17-6-7)10(11(9)28(15,25)26)12-18-20-21-19-12/h1-2,5-6H,3-4,14H2,(H2,15,25,26)(H,16,17,22)(H,18,19,20,21)
InChIKeyYLIGEJLHNJVTNH-UHFFFAOYSA-N
MW426.44 g/mol
LogP-2.00
Rot. Bonds6

About 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149948) has the molecular formula C13H14N8O5S2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149948
Molecular FormulaC13H14N8O5S2
Molecular Weight426.44 g/mol
Exact Mass426.05
IUPAC Name6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCCS(=O)(=O)c1ccc(-c2cnc(=O)[nH]c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C13H14N8O5S2/c14-3-4-27(23,24)9-2-1-8(7-5-16-13(22)17-6-7)10(11(9)28(15,25)26)12-18-20-21-19-12/h1-2,5-6H,3-4,14H2,(H2,15,25,26)(H,16,17,22)(H,18,19,20,21)
InChIKeyYLIGEJLHNJVTNH-UHFFFAOYSA-N
XLogP-2.00
TPSA220.53 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(2-aminoethylsulfonyl)-3-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150185
2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 135149712
6-(2-aminoethylsulfonyl)-3-[6-(3-isocyanoazetidin-3-yl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 140880924
6-(2-aminoethylsulfonyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150221
2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
CID 135150032
6-(2-aminoethylsulfonyl)-3-(7-methoxy-2-methyl-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135165664
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
2-[4-isoquinolin-4-yl-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium
CID 145214815
2-amino-3-[4-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-2-yl]propanoic acid
CID 135149889
6-[(2S)-3-amino-2-hydroxypropyl]sulfonyl-3-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150135
4-[2-(2-aminoethylamino)-4-pyridinyl]-1-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311300
6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145220062

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149948) is 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NCCS(=O)(=O)c1ccc(-c2cnc(=O)[nH]c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is YLIGEJLHNJVTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O5S2/c14-3-4-27(23,24)9-2-1-8(7-5-16-13(22)17-6-7)10(11(9)28(15,25)26)12-18-20-21-19-12/h1-2,5-6H,3-4,14H2,(H2,15,25,26)(H,16,17,22)(H,18,19,20,21).
What are the key properties of 6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 426.44 g/mol, XLogP of -2.00, 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-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).