N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide

C19H23N3O4S — CID 10810370

IUPACN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c23-18(21-22-19(24)16-10-4-1-5-11-16)14-8-3-9-15-20-27(25,26)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H,21,23)(H,22,24)
InChIKeyKUGSVMZJBWFWCE-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.99
Rot. Bonds9

About N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide

N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide (PubChem CID 10810370) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
PubChem CID10810370
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c23-18(21-22-19(24)16-10-4-1-5-11-16)14-8-3-9-15-20-27(25,26)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H,21,23)(H,22,24)
InChIKeyKUGSVMZJBWFWCE-UHFFFAOYSA-N
XLogP1.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide
CID 154445694
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-tridecylbenzenesulfonamide
CID 3514704
4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide?
The IUPAC name of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide (CID 10810370) is N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide?
The canonical SMILES for N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide is O=C(CCCCCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide?
The InChIKey is KUGSVMZJBWFWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-18(21-22-19(24)16-10-4-1-5-11-16)14-8-3-9-15-20-27(25,26)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H,21,23)(H,22,24).
What are the key properties of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide?
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide is sourced from PubChem (CID 10810370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).