N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

C14H13BrN4O4S — CID 166350578

IUPACN-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccc(Br)cn2)nnc1C1CC1
InChIInChI=1S/C14H13BrN4O4S/c1-23-11-6-10(17-18-13(11)8-2-3-8)14(20)19-24(21,22)12-5-4-9(15)7-16-12/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyWUTCRMDVPDDBOY-UHFFFAOYSA-N
MW413.25 g/mol
LogP1.64
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (PubChem CID 166350578) has the molecular formula C14H13BrN4O4S and a molecular weight of 413.25 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
PubChem CID166350578
Molecular FormulaC14H13BrN4O4S
Molecular Weight413.25 g/mol
Exact Mass411.98
IUPAC NameN-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccc(Br)cn2)nnc1C1CC1
InChIInChI=1S/C14H13BrN4O4S/c1-23-11-6-10(17-18-13(11)8-2-3-8)14(20)19-24(21,22)12-5-4-9(15)7-16-12/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyWUTCRMDVPDDBOY-UHFFFAOYSA-N
XLogP1.64
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
CID 167770853
6-cyclopropyl-5-methoxy-N-(3-methylphenyl)sulfonylpyridazine-3-carboxamide
CID 167893554
N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167943272
6-cyclopropyl-5-methoxy-N-(2-methylpropylsulfonyl)pyridazine-3-carboxamide
CID 167876172
N-benzylsulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167816660
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
6-cyclopropyl-N-(2-ethylbutylsulfonyl)-5-methoxypyridazine-3-carboxamide
CID 167963220
N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167983030
6-cyclopropyl-N-[1-(2,4-difluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167882154
6-cyclopropyl-N-[2-(3-fluorophenyl)ethylsulfonyl]-5-methoxypyridazine-3-carboxamide
CID 167989811
cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
CID 154763032
4-chloro-N-[(5-chloro-2-pyridinyl)sulfonyl]-3-methoxybenzamide
CID 146123111

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (CID 166350578) is N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2ccc(Br)cn2)nnc1C1CC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is WUTCRMDVPDDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O4S/c1-23-11-6-10(17-18-13(11)8-2-3-8)14(20)19-24(21,22)12-5-4-9(15)7-16-12/h4-8H,2-3H2,1H3,(H,19,20).
What are the key properties of N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 413.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)sulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 166350578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).