N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

C16H17N3O4S — CID 167816660

IUPACN-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)Cc2ccccc2)nnc1C1CC1
InChIInChI=1S/C16H17N3O4S/c1-23-14-9-13(17-18-15(14)12-7-8-12)16(20)19-24(21,22)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,19,20)
InChIKeyJZSUHYRLAGWAMC-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.62
Rot. Bonds6

About N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (PubChem CID 167816660) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
PubChem CID167816660
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)Cc2ccccc2)nnc1C1CC1
InChIInChI=1S/C16H17N3O4S/c1-23-14-9-13(17-18-15(14)12-7-8-12)16(20)19-24(21,22)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,19,20)
InChIKeyJZSUHYRLAGWAMC-UHFFFAOYSA-N
XLogP1.62
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167983030
6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
CID 167770853
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 166350578
N-benzylsulfonyl-6-bromopyridine-2-carboxamide
CID 88578915
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156
N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
CID 51119346
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
(2-methoxyphenyl)methylsulfonylcarbamic acid
CID 141426793
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (CID 167816660) is N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2)nnc1C1CC1.
What is the InChIKey of N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is JZSUHYRLAGWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-9-13(17-18-15(14)12-7-8-12)16(20)19-24(21,22)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,19,20).
What are the key properties of N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167816660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).