5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine

C18H14N4O2S — CID 118611347

IUPAC5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2ccnnc2n1-c1ccccc1
InChIInChI=1S/C18H14N4O2S/c19-17-16(25(23,24)14-9-5-2-6-10-14)15-11-12-20-21-18(15)22(17)13-7-3-1-4-8-13/h1-12H,19H2
InChIKeyFJYMOCSUMORLPF-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.84
Rot. Bonds3

About 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine

5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine (PubChem CID 118611347) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine
PubChem CID118611347
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2ccnnc2n1-c1ccccc1
InChIInChI=1S/C18H14N4O2S/c19-17-16(25(23,24)14-9-5-2-6-10-14)15-11-12-20-21-18(15)22(17)13-7-3-1-4-8-13/h1-12H,19H2
InChIKeyFJYMOCSUMORLPF-UHFFFAOYSA-N
XLogP2.84
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611244
5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611264
9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
CID 12554174
5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide
CID 134910072
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine
CID 4612148
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
4-[4-(20-phenyl-2,10,12,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-10-yl)phenyl]sulfonylbenzonitrile
CID 175631557
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine
CID 71685919

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine?
The IUPAC name of 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine (CID 118611347) is 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine?
The canonical SMILES for 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine is Nc1c(S(=O)(=O)c2ccccc2)c2ccnnc2n1-c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine?
The InChIKey is FJYMOCSUMORLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-17-16(25(23,24)14-9-5-2-6-10-14)15-11-12-20-21-18(15)22(17)13-7-3-1-4-8-13/h1-12H,19H2.
What are the key properties of 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine?
5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine has a molecular weight of 350.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine is sourced from PubChem (CID 118611347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).