4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide

C16H15N3O5S — CID 9056007

IUPAC4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H15N3O5S/c1-24-12-4-2-10(3-5-12)16(21)18-19-25(22,23)13-6-7-14-11(8-13)9-15(20)17-14/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyDKFWHMRWQPOPPO-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.81
Rot. Bonds5

About 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide

4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide (PubChem CID 9056007) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
PubChem CID9056007
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H15N3O5S/c1-24-12-4-2-10(3-5-12)16(21)18-19-25(22,23)13-6-7-14-11(8-13)9-15(20)17-14/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyDKFWHMRWQPOPPO-UHFFFAOYSA-N
XLogP0.81
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 18197725
4-(diethylamino)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9030537
(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
CID 9056044
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338604
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
CID 9055811
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 122175155

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide (CID 9056007) is 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide is COc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The InChIKey is DKFWHMRWQPOPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-24-12-4-2-10(3-5-12)16(21)18-19-25(22,23)13-6-7-14-11(8-13)9-15(20)17-14/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide has a molecular weight of 361.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide is sourced from PubChem (CID 9056007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).