(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide

C15H13N3O4S — CID 816096

IUPAC(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(N)=O
InChIInChI=1S/C15H13N3O4S/c16-9-11(15(17)19)8-12-6-7-13(22-12)10-18-23(20,21)14-4-2-1-3-5-14/h1-8,18H,10H2,(H2,17,19)/b11-8-
InChIKeyJVXKSULQXWMRDS-FLIBITNWSA-N
MW331.35 g/mol
LogP1.15
Rot. Bonds6

About (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide

(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide (PubChem CID 816096) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide
PubChem CID816096
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(N)=O
InChIInChI=1S/C15H13N3O4S/c16-9-11(15(17)19)8-12-6-7-13(22-12)10-18-23(20,21)14-4-2-1-3-5-14/h1-8,18H,10H2,(H2,17,19)/b11-8-
InChIKeyJVXKSULQXWMRDS-FLIBITNWSA-N
XLogP1.15
TPSA126.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide (CID 816096) is (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide is N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(N)=O.
What is the InChIKey of (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide?
The InChIKey is JVXKSULQXWMRDS-FLIBITNWSA-N. The full InChI is InChI=1S/C15H13N3O4S/c16-9-11(15(17)19)8-12-6-7-13(22-12)10-18-23(20,21)14-4-2-1-3-5-14/h1-8,18H,10H2,(H2,17,19)/b11-8-.
What are the key properties of (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide?
(Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide has a molecular weight of 331.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-2-cyanoprop-2-enamide is sourced from PubChem (CID 816096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).