(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C21H20ClNO3S2 — CID 46245550

IUPAC(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H20ClNO3S2/c1-16-3-13-21(14-4-16)28(24,25)23-27(2)20-11-9-19(10-12-20)26-15-17-5-7-18(22)8-6-17/h3-14H,15H2,1-2H3
InChIKeyDESJQZDNERSIIF-UHFFFAOYSA-N
MW433.98 g/mol
LogP5.41
Rot. Bonds6

About (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 46245550) has the molecular formula C21H20ClNO3S2 and a molecular weight of 433.98 g/mol. Its IUPAC name is (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID46245550
Molecular FormulaC21H20ClNO3S2
Molecular Weight433.98 g/mol
Exact Mass433.06
IUPAC Name(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H20ClNO3S2/c1-16-3-13-21(14-4-16)28(24,25)23-27(2)20-11-9-19(10-12-20)26-15-17-5-7-18(22)8-6-17/h3-14H,15H2,1-2H3
InChIKeyDESJQZDNERSIIF-UHFFFAOYSA-N
XLogP5.41
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
(4-chlorophenyl)methyl 4-methylbenzenesulfonate
CID 13462594
N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 134927709
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 46245550) is (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is DESJQZDNERSIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3S2/c1-16-3-13-21(14-4-16)28(24,25)23-27(2)20-11-9-19(10-12-20)26-15-17-5-7-18(22)8-6-17/h3-14H,15H2,1-2H3.
What are the key properties of (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 433.98 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46245550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).