N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide

C17H14ClN3O2S — CID 152822631

IUPACN-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C17H14ClN3O2S/c1-12-4-2-7-15(10-12)24(22,23)21-17-9-8-16(19-20-17)13-5-3-6-14(18)11-13/h2-11H,1H3,(H,20,21)
InChIKeySUFABSSWBUEZDT-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide

N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 152822631) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide
PubChem CID152822631
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C17H14ClN3O2S/c1-12-4-2-7-15(10-12)24(22,23)21-17-9-8-16(19-20-17)13-5-3-6-14(18)11-13/h2-11H,1H3,(H,20,21)
InChIKeySUFABSSWBUEZDT-UHFFFAOYSA-N
XLogP3.91
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide (CID 152822631) is N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)c1.
What is the InChIKey of N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is SUFABSSWBUEZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-12-4-2-7-15(10-12)24(22,23)21-17-9-8-16(19-20-17)13-5-3-6-14(18)11-13/h2-11H,1H3,(H,20,21).
What are the key properties of N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide?
N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 359.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)pyridazin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 152822631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).