N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide

C21H15ClN2O3S — CID 6287373

IUPACN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15ClN2O3S/c22-18-8-5-16(6-9-18)21-12-10-19(27-21)14-23-24-28(25,26)20-11-7-15-3-1-2-4-17(15)13-20/h1-14,24H/b23-14-
InChIKeyMOWLIPYDMYGMLB-UCQKPKSFSA-N
MW410.88 g/mol
LogP5.07
Rot. Bonds5

About N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide

N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide (PubChem CID 6287373) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
PubChem CID6287373
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15ClN2O3S/c22-18-8-5-16(6-9-18)21-12-10-19(27-21)14-23-24-28(25,26)20-11-7-15-3-1-2-4-17(15)13-20/h1-14,24H/b23-14-
InChIKeyMOWLIPYDMYGMLB-UCQKPKSFSA-N
XLogP5.07
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
CID 6894037
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 2002760
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110516073
4-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 18280389
2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
CID 69459382

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide (CID 6287373) is N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide is O=S(=O)(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide?
The InChIKey is MOWLIPYDMYGMLB-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-18-8-5-16(6-9-18)21-12-10-19(27-21)14-23-24-28(25,26)20-11-7-15-3-1-2-4-17(15)13-20/h1-14,24H/b23-14-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide?
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide has a molecular weight of 410.88 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide is sourced from PubChem (CID 6287373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).