1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide

C12H16N4O3S — CID 136569982

IUPAC1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C12H16N4O3S/c1-8-7-13-16(2)12(8)20(17,18)15-11-9-5-3-4-6-10(9)19-14-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyGLSJCOQVJCMGNF-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.40
Rot. Bonds3

About 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide

1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide (PubChem CID 136569982) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide
PubChem CID136569982
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C12H16N4O3S/c1-8-7-13-16(2)12(8)20(17,18)15-11-9-5-3-4-6-10(9)19-14-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyGLSJCOQVJCMGNF-UHFFFAOYSA-N
XLogP1.40
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)thiophene-2-sulfonamide
CID 136569981
N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 167930716
N-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,4-dimethylpyrazole-5-sulfonamide
CID 146077181
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
CID 146124559
N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 167854843
4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 120968707
N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine
CID 165444093
N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide
CID 138997207
N-(2-ethoxy-4-methylsulfonylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
CID 167948236
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)pyrrolidin-2-one
CID 129000681
1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide
CID 136572184
4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
CID 106316289

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide?
The IUPAC name of 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide (CID 136569982) is 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)Nc1noc2c1CCCC2.
What is the InChIKey of 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide?
The InChIKey is GLSJCOQVJCMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-7-13-16(2)12(8)20(17,18)15-11-9-5-3-4-6-10(9)19-14-11/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide?
1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide is sourced from PubChem (CID 136569982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).