3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C14H15N7O2S2 — CID 134823541

IUPAC3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1nc2c(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cccc2s1
InChIInChI=1S/C14H15N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6,13,18-21H,(H2,15,17)(H2,16,22,23)
InChIKeyHBHWSTSLOKQFEE-UHFFFAOYSA-N
MW377.46 g/mol
LogP0.31
Rot. Bonds3

About 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823541) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823541
Molecular FormulaC14H15N7O2S2
Molecular Weight377.46 g/mol
Exact Mass377.07
IUPAC Name3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1nc2c(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cccc2s1
InChIInChI=1S/C14H15N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6,13,18-21H,(H2,15,17)(H2,16,22,23)
InChIKeyHBHWSTSLOKQFEE-UHFFFAOYSA-N
XLogP0.31
TPSA147.19 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 50.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823541) is 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Nc1nc2c(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cccc2s1.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is HBHWSTSLOKQFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6,13,18-21H,(H2,15,17)(H2,16,22,23).
What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 0.31, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).