(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide

C13H13NO3S — CID 58361084

IUPAC(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C13H13NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-9H,1-2H3/b14-9+
InChIKeyBDYYARUUWBBBTQ-NTEUORMPSA-N
MW263.32 g/mol
LogP2.70
Rot. Bonds3

About (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide

(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide (PubChem CID 58361084) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide
PubChem CID58361084
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C13H13NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-9H,1-2H3/b14-9+
InChIKeyBDYYARUUWBBBTQ-NTEUORMPSA-N
XLogP2.70
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide (CID 58361084) is (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2ccc(C)o2)cc1.
What is the InChIKey of (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide?
The InChIKey is BDYYARUUWBBBTQ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-9H,1-2H3/b14-9+.
What are the key properties of (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide?
(NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[(5-methylfuran-2-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 58361084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).