4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide

C20H15FN10O2S — CID 122292201

IUPAC4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H15FN10O2S/c21-17-7-6-15(12-16(17)20-26-29-30-27-20)34(32,33)28-14-4-2-13(3-5-14)23-18-8-9-19(25-24-18)31-11-1-10-22-31/h1-12,28H,(H,23,24)(H,26,27,29,30)
InChIKeyZVKWJQVYYGUURQ-UHFFFAOYSA-N
MW478.47 g/mol
LogP2.53
Rot. Bonds7

About 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide

4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122292201) has the molecular formula C20H15FN10O2S and a molecular weight of 478.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122292201
Molecular FormulaC20H15FN10O2S
Molecular Weight478.47 g/mol
Exact Mass478.11
IUPAC Name4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H15FN10O2S/c21-17-7-6-15(12-16(17)20-26-29-30-27-20)34(32,33)28-14-4-2-13(3-5-14)23-18-8-9-19(25-24-18)31-11-1-10-22-31/h1-12,28H,(H,23,24)(H,26,27,29,30)
InChIKeyZVKWJQVYYGUURQ-UHFFFAOYSA-N
XLogP2.53
TPSA156.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3,4-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802107
4-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122317339
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122296927
4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284170
4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284592
5-chloro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122292165
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351561
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122292202
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122292201) is 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(F)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ZVKWJQVYYGUURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN10O2S/c21-17-7-6-15(12-16(17)20-26-29-30-27-20)34(32,33)28-14-4-2-13(3-5-14)23-18-8-9-19(25-24-18)31-11-1-10-22-31/h1-12,28H,(H,23,24)(H,26,27,29,30).
What are the key properties of 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide?
4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 478.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122292201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).