N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

C16H16ClN3O4S — CID 167943272

IUPACN-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2C)nnc1C1CC1
InChIInChI=1S/C16H16ClN3O4S/c1-9-3-6-11(17)7-14(9)25(22,23)20-16(21)12-8-13(24-2)15(19-18-12)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,20,21)
InChIKeyLDUFYQSIJPZEAL-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.44
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (PubChem CID 167943272) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
PubChem CID167943272
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2C)nnc1C1CC1
InChIInChI=1S/C16H16ClN3O4S/c1-9-3-6-11(17)7-14(9)25(22,23)20-16(21)12-8-13(24-2)15(19-18-12)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,20,21)
InChIKeyLDUFYQSIJPZEAL-UHFFFAOYSA-N
XLogP2.44
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
CID 167963220
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695961
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (CID 167943272) is N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2cc(Cl)ccc2C)nnc1C1CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is LDUFYQSIJPZEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-9-3-6-11(17)7-14(9)25(22,23)20-16(21)12-8-13(24-2)15(19-18-12)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167943272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).