N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide

C23H24ClN3O4S — CID 154445694

IUPACN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide
SMILESO=C(CCCCCNS(=O)(=O)c1c(Cl)ccc2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C23H24ClN3O4S/c24-20-15-14-17-9-6-7-12-19(17)22(20)32(30,31)25-16-8-2-5-13-21(28)26-27-23(29)18-10-3-1-4-11-18/h1,3-4,6-7,9-12,14-15,25H,2,5,8,13,16H2,(H,26,28)(H,27,29)
InChIKeyDPKZVTMVNXCAMM-UHFFFAOYSA-N
MW473.98 g/mol
LogP3.79
Rot. Bonds9

About N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide

N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide (PubChem CID 154445694) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide
PubChem CID154445694
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide
SMILESO=C(CCCCCNS(=O)(=O)c1c(Cl)ccc2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C23H24ClN3O4S/c24-20-15-14-17-9-6-7-12-19(17)22(20)32(30,31)25-16-8-2-5-13-21(28)26-27-23(29)18-10-3-1-4-11-18/h1,3-4,6-7,9-12,14-15,25H,2,5,8,13,16H2,(H,26,28)(H,27,29)
InChIKeyDPKZVTMVNXCAMM-UHFFFAOYSA-N
XLogP3.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 53.79
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

N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
CID 24663432
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 35021070
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide (CID 154445694) is N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide is O=C(CCCCCNS(=O)(=O)c1c(Cl)ccc2ccccc12)NNC(=O)c1ccccc1.
What is the InChIKey of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide?
The InChIKey is DPKZVTMVNXCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c24-20-15-14-17-9-6-7-12-19(17)22(20)32(30,31)25-16-8-2-5-13-21(28)26-27-23(29)18-10-3-1-4-11-18/h1,3-4,6-7,9-12,14-15,25H,2,5,8,13,16H2,(H,26,28)(H,27,29).
What are the key properties of N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide?
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]-2-chloronaphthalene-1-sulfonamide has a molecular weight of 473.98 g/mol, XLogP of 3.79, 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]-2-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 154445694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).