4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide

C19H23N3O5S2 — CID 1428605

IUPAC4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H23N3O5S2/c23-19(20-21-28(24,25)17-8-4-3-5-9-17)16-10-12-18(13-11-16)29(26,27)22-14-6-1-2-7-15-22/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,23)
InChIKeyPRJSFOSOXDJSQN-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.87
Rot. Bonds6

About 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide

4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide (PubChem CID 1428605) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
PubChem CID1428605
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H23N3O5S2/c23-19(20-21-28(24,25)17-8-4-3-5-9-17)16-10-12-18(13-11-16)29(26,27)22-14-6-1-2-7-15-22/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,23)
InChIKeyPRJSFOSOXDJSQN-UHFFFAOYSA-N
XLogP1.87
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
N'-(4-acetylphenyl)sulfonyl-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 26969406
4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
CID 171983464
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26969476
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide
CID 6071604
4-(azepan-1-ylsulfonyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886262

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide (CID 1428605) is 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide?
The InChIKey is PRJSFOSOXDJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c23-19(20-21-28(24,25)17-8-4-3-5-9-17)16-10-12-18(13-11-16)29(26,27)22-14-6-1-2-7-15-22/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide?
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide has a molecular weight of 437.54 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide is sourced from PubChem (CID 1428605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).