N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide

C13H13N3O4S2 — CID 110715789

IUPACN,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H13N3O4S2/c1-15(8-12-14-5-6-21-12)22(18,19)9-3-4-10-11(7-9)20-13(17)16(10)2/h3-7H,8H2,1-2H3
InChIKeySSTUQTMLVOQQGR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.41
Rot. Bonds4

About N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide

N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110715789) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110715789
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC NameN,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H13N3O4S2/c1-15(8-12-14-5-6-21-12)22(18,19)9-3-4-10-11(7-9)20-13(17)16(10)2/h3-7H,8H2,1-2H3
InChIKeySSTUQTMLVOQQGR-UHFFFAOYSA-N
XLogP1.41
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119991453
N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 47022474
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 131902928
N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
CID 7574126
1-[4-[methyl(1,3-thiazol-2-ylmethyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154744361
N-methyl-2-(3-methylbutanoyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70708718
2-(3-aminopropanoyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70777075

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide (CID 110715789) is N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide is CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SSTUQTMLVOQQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-15(8-12-14-5-6-21-12)22(18,19)9-3-4-10-11(7-9)20-13(17)16(10)2/h3-7H,8H2,1-2H3.
What are the key properties of N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110715789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).