1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea

C18H15ClN4O4S — CID 13489961

IUPAC1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClN4O4S/c1-12-7-5-6-10-15(12)28(26,27)22-18(25)21-14-11-20-23(17(24)16(14)19)13-8-3-2-4-9-13/h2-11H,1H3,(H2,21,22,25)
InChIKeyDADIKGSZBMAAQQ-UHFFFAOYSA-N
MW418.86 g/mol
LogP2.70
Rot. Bonds4

About 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea

1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea (PubChem CID 13489961) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
PubChem CID13489961
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClN4O4S/c1-12-7-5-6-10-15(12)28(26,27)22-18(25)21-14-11-20-23(17(24)16(14)19)13-8-3-2-4-9-13/h2-11H,1H3,(H2,21,22,25)
InChIKeyDADIKGSZBMAAQQ-UHFFFAOYSA-N
XLogP2.70
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one
CID 9195555
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069586
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea (CID 13489961) is 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea is Cc1ccccc1S(=O)(=O)NC(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea?
The InChIKey is DADIKGSZBMAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c1-12-7-5-6-10-15(12)28(26,27)22-18(25)21-14-11-20-23(17(24)16(14)19)13-8-3-2-4-9-13/h2-11H,1H3,(H2,21,22,25).
What are the key properties of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea?
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea has a molecular weight of 418.86 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 13489961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).