3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide

C24H21N3O4S — CID 46490610

IUPAC3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H21N3O4S/c28-23(14-19-15-25-22-12-5-4-11-21(19)22)26-27-24(29)18-8-6-7-17(13-18)16-32(30,31)20-9-2-1-3-10-20/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyAJQMQQARHAIMMC-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.15
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide

3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide (PubChem CID 46490610) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
PubChem CID46490610
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H21N3O4S/c28-23(14-19-15-25-22-12-5-4-11-21(19)22)26-27-24(29)18-8-6-7-17(13-18)16-32(30,31)20-9-2-1-3-10-20/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
InChIKeyAJQMQQARHAIMMC-UHFFFAOYSA-N
XLogP3.15
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(1H-indol-3-yl)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 26932806
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
3-fluoro-N-[3-[[[2-(1H-indol-3-yl)acetyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
CID 31830269
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide (CID 46490610) is 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
The InChIKey is AJQMQQARHAIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c28-23(14-19-15-25-22-12-5-4-11-21(19)22)26-27-24(29)18-8-6-7-17(13-18)16-32(30,31)20-9-2-1-3-10-20/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29).
What are the key properties of 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide?
3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide has a molecular weight of 447.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46490610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).