N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C15H22N6O2S — CID 113039171

IUPACN-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C15H22N6O2S/c1-10-15(11(2)18-17-10)24(22,23)21-14-9-8-13(19-20-14)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyLWTMHDKCZONGMQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP2.36
Rot. Bonds5

About N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113039171) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113039171
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C15H22N6O2S/c1-10-15(11(2)18-17-10)24(22,23)21-14-9-8-13(19-20-14)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyLWTMHDKCZONGMQ-UHFFFAOYSA-N
XLogP2.36
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]benzenesulfonamide
CID 92126628
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041428
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041518
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113042557
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113042631
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113047233
N-[6-(4-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113047338
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050561
3,5-dimethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113051523
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113051608
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113051695

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113039171) is N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCC2)nn1.
What is the InChIKey of N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LWTMHDKCZONGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10-15(11(2)18-17-10)24(22,23)21-14-9-8-13(19-20-14)16-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113039171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).