4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide

C19H14ClNO3S — CID 6347530

IUPACphenyl (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidate
SMILESC1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/OC3=CC=CC=C3
InChIInChI=1S/C19H14ClNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H/b21-19+
InChIKeyNFXOEEDPMHRTCU-XUTLUUPISA-N
MW371.80 g/mol
LogP5.40
Rot. Bonds5

About 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide

4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide (PubChem CID 6347530) has the molecular formula C19H14ClNO3S and a molecular weight of 371.80 g/mol. Its IUPAC name is phenyl (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidate.

Molecular Properties

Compound Name4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide
PubChem CID6347530
Molecular FormulaC19H14ClNO3S
Molecular Weight371.80 g/mol
Exact Mass371.04
IUPAC Namephenyl (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidate
SMILESC1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/OC3=CC=CC=C3
InChIInChI=1S/C19H14ClNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H/b21-19+
InChIKeyNFXOEEDPMHRTCU-XUTLUUPISA-N
XLogP5.40
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity538

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.80
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Phenoxy-1,2-benzothiazole 1,1-dioxide
CID 686407
N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]benzenesulfonohydrazide
CID 6883383
3-(2-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 2221732
4-chloro-N'-[1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 9586345
4-methoxyphenyl N-(phenylsulfonyl)benzenecarboximidoate
CID 5508183
3-(4-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 794423
phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidate
CID 1548097
(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate
CID 1351862
3-(3-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 44623919
4-chloro-N'-[(E)-{2-[(4-fluorobenzyl)oxy]phenyl}methylidene]benzenesulfonohydrazide
CID 9613232
4-chloro-N'-{(E)-[3-(prop-2-en-1-yloxy)phenyl]methylidene}benzenesulfonohydrazide
CID 5343595
(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
CID 24796613

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide?
The IUPAC name of 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide (CID 6347530) is phenyl (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidate.
What is the SMILES notation for 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide?
The canonical SMILES for 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide is C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/OC3=CC=CC=C3.
What is the InChIKey of 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide?
The InChIKey is NFXOEEDPMHRTCU-XUTLUUPISA-N. The full InChI is InChI=1S/C19H14ClNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H/b21-19+.
What are the key properties of 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide?
4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide has a molecular weight of 371.80 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-N-(phenoxy-phenyl-methylene)-benzenesulfonamide is sourced from PubChem (CID 6347530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).