N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide

C17H30N2O3S — CID 57320654

IUPACN'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
SMILESCCCCCCCCCCC=CS(=O)(=O)NNCc1ccco1
InChIInChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h11-15,18-19H,2-10,16H2,1H3
InChIKeyAXZVLRDNQOLYLS-UHFFFAOYSA-N
MW342.50 g/mol
LogP4.25
Rot. Bonds14

About N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide

N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide (PubChem CID 57320654) has the molecular formula C17H30N2O3S and a molecular weight of 342.50 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
PubChem CID57320654
Molecular FormulaC17H30N2O3S
Molecular Weight342.50 g/mol
Exact Mass342.20
IUPAC NameN'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
SMILESCCCCCCCCCCC=CS(=O)(=O)NNCc1ccco1
InChIInChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h11-15,18-19H,2-10,16H2,1H3
InChIKeyAXZVLRDNQOLYLS-UHFFFAOYSA-N
XLogP4.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
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

2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
CID 57249983
2-tridec-1-enylfuran
CID 76580057
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
hexyl N-(furan-2-ylmethyl)carbamate
CID 67843167
2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole
CID 69114351
2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
CID 15212982
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
CID 12578443
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide?
The IUPAC name of N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide (CID 57320654) is N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide.
What is the SMILES notation for N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide?
The canonical SMILES for N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide is CCCCCCCCCCC=CS(=O)(=O)NNCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide?
The InChIKey is AXZVLRDNQOLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-23(20,21)19-18-16-17-13-12-14-22-17/h11-15,18-19H,2-10,16H2,1H3.
What are the key properties of N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide?
N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide has a molecular weight of 342.50 g/mol, XLogP of 4.25, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide is sourced from PubChem (CID 57320654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).