4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide

C14H16ClN3O4S — CID 2822910

IUPAC4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
SMILESNNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O4S/c15-11-3-5-13(6-4-11)23(20,21)18(8-7-14(19)17-16)10-12-2-1-9-22-12/h1-6,9H,7-8,10,16H2,(H,17,19)
InChIKeyCWQPEFIWHAYHFJ-UHFFFAOYSA-N
MW357.82 g/mol
LogP1.50
Rot. Bonds7

About 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide

4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide (PubChem CID 2822910) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
PubChem CID2822910
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
SMILESNNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O4S/c15-11-3-5-13(6-4-11)23(20,21)18(8-7-14(19)17-16)10-12-2-1-9-22-12/h1-6,9H,7-8,10,16H2,(H,17,19)
InChIKeyCWQPEFIWHAYHFJ-UHFFFAOYSA-N
XLogP1.50
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide (CID 2822910) is 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide is NNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The InChIKey is CWQPEFIWHAYHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c15-11-3-5-13(6-4-11)23(20,21)18(8-7-14(19)17-16)10-12-2-1-9-22-12/h1-6,9H,7-8,10,16H2,(H,17,19).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide has a molecular weight of 357.82 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 2822910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).