N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H11N3O4S2 — CID 99831804

IUPACN-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4sncc4c3)ccc21
InChIInChI=1S/C15H11N3O4S2/c1-18-12-4-3-11(7-13(12)22-15(18)19)24(20,21)17-10-2-5-14-9(6-10)8-16-23-14/h2-8,17H,1H3
InChIKeyXHPUVYBFHJAIEH-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.54
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 99831804) has the molecular formula C15H11N3O4S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID99831804
Molecular FormulaC15H11N3O4S2
Molecular Weight361.40 g/mol
Exact Mass361.02
IUPAC NameN-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4sncc4c3)ccc21
InChIInChI=1S/C15H11N3O4S2/c1-18-12-4-3-11(7-13(12)22-15(18)19)24(20,21)17-10-2-5-14-9(6-10)8-16-23-14/h2-8,17H,1H3
InChIKeyXHPUVYBFHJAIEH-UHFFFAOYSA-N
XLogP2.54
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 99831804) is N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4sncc4c3)ccc21.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XHPUVYBFHJAIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S2/c1-18-12-4-3-11(7-13(12)22-15(18)19)24(20,21)17-10-2-5-14-9(6-10)8-16-23-14/h2-8,17H,1H3.
What are the key properties of N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 99831804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).