2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide

C16H15N3O4S2 — CID 7599941

IUPAC2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
SMILESCOc1cccc2sc(NNC(=O)CS(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C16H15N3O4S2/c1-23-12-8-5-9-13-15(12)17-16(24-13)19-18-14(20)10-25(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyXSEYKOHNOVLANM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.22
Rot. Bonds6

About 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide

2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 7599941) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID7599941
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
SMILESCOc1cccc2sc(NNC(=O)CS(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C16H15N3O4S2/c1-23-12-8-5-9-13-15(12)17-16(24-13)19-18-14(20)10-25(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyXSEYKOHNOVLANM-UHFFFAOYSA-N
XLogP2.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 43953357
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 7599888
4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 41043715
4-(benzenesulfonyl)-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 18585773

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide (CID 7599941) is 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide is COc1cccc2sc(NNC(=O)CS(=O)(=O)c3ccccc3)nc12.
What is the InChIKey of 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is XSEYKOHNOVLANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-23-12-8-5-9-13-15(12)17-16(24-13)19-18-14(20)10-25(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 377.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 7599941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).