4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide

C25H16Cl2N4O3S — CID 6405557

IUPAC4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H16Cl2N4O3S/c26-17-6-11-22-20(14-17)21(15-23(34-22)16-4-2-1-3-5-16)28-18-7-9-19(10-8-18)35(32,33)31-25-13-12-24(27)29-30-25/h1-15H,(H,30,31)/b28-21+
InChIKeyUCXHNINIKTWFGG-SGWCAAJKSA-N
MW523.40 g/mol
LogP6.23
Rot. Bonds5

About 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide

4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide (PubChem CID 6405557) has the molecular formula C25H16Cl2N4O3S and a molecular weight of 523.40 g/mol. Its IUPAC name is 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
PubChem CID6405557
Molecular FormulaC25H16Cl2N4O3S
Molecular Weight523.40 g/mol
Exact Mass522.03
IUPAC Name4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H16Cl2N4O3S/c26-17-6-11-22-20(14-17)21(15-23(34-22)16-4-2-1-3-5-16)28-18-7-9-19(10-8-18)35(32,33)31-25-13-12-24(27)29-30-25/h1-15H,(H,30,31)/b28-21+
InChIKeyUCXHNINIKTWFGG-SGWCAAJKSA-N
XLogP6.23
TPSA97.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.40
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide (CID 6405557) is 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
The InChIKey is UCXHNINIKTWFGG-SGWCAAJKSA-N. The full InChI is InChI=1S/C25H16Cl2N4O3S/c26-17-6-11-22-20(14-17)21(15-23(34-22)16-4-2-1-3-5-16)28-18-7-9-19(10-8-18)35(32,33)31-25-13-12-24(27)29-30-25/h1-15H,(H,30,31)/b28-21+.
What are the key properties of 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide?
4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide has a molecular weight of 523.40 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 6405557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).