N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide

C17H13ClN2O3S — CID 5431725

IUPACN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C17H13ClN2O3S/c18-16-9-5-4-8-15(16)17-11-10-13(23-17)12-19-20-24(21,22)14-6-2-1-3-7-14/h1-12,20H/b19-12-
InChIKeyNMHUJRNAZBKVGE-UNOMPAQXSA-N
MW360.82 g/mol
LogP3.91
Rot. Bonds5

About N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide

N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide (PubChem CID 5431725) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
PubChem CID5431725
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC NameN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C17H13ClN2O3S/c18-16-9-5-4-8-15(16)17-11-10-13(23-17)12-19-20-24(21,22)14-6-2-1-3-7-14/h1-12,20H/b19-12-
InChIKeyNMHUJRNAZBKVGE-UNOMPAQXSA-N
XLogP3.91
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.91
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

[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 3429984
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 2002760
N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
CID 5430595
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
N-[(Z)-furan-2-ylmethylideneamino]benzenesulfonamide
CID 6269707
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6897306

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide (CID 5431725) is N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide?
The InChIKey is NMHUJRNAZBKVGE-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-16-9-5-4-8-15(16)17-11-10-13(23-17)12-19-20-24(21,22)14-6-2-1-3-7-14/h1-12,20H/b19-12-.
What are the key properties of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide?
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide has a molecular weight of 360.82 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).