N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

C17H18ClN3O4S — CID 167983030

IUPACN-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CCc2ccccc2Cl)nnc1C1CC1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-10-14(19-20-16(15)12-6-7-12)17(22)21-26(23,24)9-8-11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyCMJFGKWPDSGGES-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide

N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (PubChem CID 167983030) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
PubChem CID167983030
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)CCc2ccccc2Cl)nnc1C1CC1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-10-14(19-20-16(15)12-6-7-12)17(22)21-26(23,24)9-8-11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22)
InChIKeyCMJFGKWPDSGGES-UHFFFAOYSA-N
XLogP2.32
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.32
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
6-cyclopropyl-N-(2,6-dimethylphenyl)sulfonyl-5-methoxypyridazine-3-carboxamide
CID 167770853
N-(5-chloro-2-methylphenyl)sulfonyl-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167943272
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
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide (CID 167983030) is N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is COc1cc(C(=O)NS(=O)(=O)CCc2ccccc2Cl)nnc1C1CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
The InChIKey is CMJFGKWPDSGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-25-15-10-14(19-20-16(15)12-6-7-12)17(22)21-26(23,24)9-8-11-4-2-3-5-13(11)18/h2-5,10,12H,6-9H2,1H3,(H,21,22).
What are the key properties of N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide?
N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethylsulfonyl]-6-cyclopropyl-5-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 167983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).