N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide

C18H17ClN4O2S — CID 113047502

IUPACN-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-12-6-7-13(2)16(10-12)26(24,25)23-18-9-8-17(21-22-18)20-15-5-3-4-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyDVBNAMNGZXDINA-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.29
Rot. Bonds5

About N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide

N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113047502) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID113047502
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-12-6-7-13(2)16(10-12)26(24,25)23-18-9-8-17(21-22-18)20-15-5-3-4-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23)
InChIKeyDVBNAMNGZXDINA-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113050274
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide (CID 113047502) is N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3)nn2)c1.
What is the InChIKey of N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DVBNAMNGZXDINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-12-6-7-13(2)16(10-12)26(24,25)23-18-9-8-17(21-22-18)20-15-5-3-4-14(19)11-15/h3-11H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113047502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).