N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide

C27H21ClN4O5S — CID 6405555

IUPACN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(-c2c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c3ccccc3o2)cc1OC
InChIInChI=1S/C27H21ClN4O5S/c1-35-23-12-7-17(15-25(23)36-2)24-16-21(20-5-3-4-6-22(20)37-24)29-18-8-10-19(11-9-18)38(33,34)32-27-14-13-26(28)30-31-27/h3-16H,1-2H3,(H,31,32)/b29-21+
InChIKeyRSWKLRGMZSZLSN-XHLNEMQHSA-N
MW549.01 g/mol
LogP5.59
Rot. Bonds7

About N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide

N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide (PubChem CID 6405555) has the molecular formula C27H21ClN4O5S and a molecular weight of 549.01 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
PubChem CID6405555
Molecular FormulaC27H21ClN4O5S
Molecular Weight549.01 g/mol
Exact Mass548.09
IUPAC NameN-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(-c2c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c3ccccc3o2)cc1OC
InChIInChI=1S/C27H21ClN4O5S/c1-35-23-12-7-17(15-25(23)36-2)24-16-21(20-5-3-4-6-22(20)37-24)29-18-8-10-19(11-9-18)38(33,34)32-27-14-13-26(28)30-31-27/h3-16H,1-2H3,(H,31,32)/b29-21+
InChIKeyRSWKLRGMZSZLSN-XHLNEMQHSA-N
XLogP5.59
TPSA115.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.01
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide with MolForge

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Related Compounds

N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]amino]benzenesulfonamide
CID 6405705
4-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405557
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 3487159
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide (CID 6405555) is N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide is COc1ccc(-c2c/c(=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c3ccccc3o2)cc1OC.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide?
The InChIKey is RSWKLRGMZSZLSN-XHLNEMQHSA-N. The full InChI is InChI=1S/C27H21ClN4O5S/c1-35-23-12-7-17(15-25(23)36-2)24-16-21(20-5-3-4-6-22(20)37-24)29-18-8-10-19(11-9-18)38(33,34)32-27-14-13-26(28)30-31-27/h3-16H,1-2H3,(H,31,32)/b29-21+.
What are the key properties of N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide?
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide has a molecular weight of 549.01 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 6405555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).