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

C21H25N3O5S — CID 18197725

IUPAC4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-3-4-5-12-29-17-8-6-15(7-9-17)21(26)23-24-30(27,28)18-10-11-19-16(13-18)14-20(25)22-19/h6-11,13,24H,2-5,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUETHEJWABGVBOB-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.76
Rot. Bonds10

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

4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide (PubChem CID 18197725) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
PubChem CID18197725
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-3-4-5-12-29-17-8-6-15(7-9-17)21(26)23-24-30(27,28)18-10-11-19-16(13-18)14-20(25)22-19/h6-11,13,24H,2-5,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUETHEJWABGVBOB-UHFFFAOYSA-N
XLogP2.76
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9030537
5-octoxy-1,3-dihydroindol-2-one
CID 143867556
(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
CID 9056044
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
CID 8617635
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
3-[[(4-hexoxybenzoyl)amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540229

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide (CID 18197725) is 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
The InChIKey is UETHEJWABGVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-3-4-5-12-29-17-8-6-15(7-9-17)21(26)23-24-30(27,28)18-10-11-19-16(13-18)14-20(25)22-19/h6-11,13,24H,2-5,12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide?
4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide has a molecular weight of 431.51 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide is sourced from PubChem (CID 18197725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).