N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

C15H13ClN4O2S2 — CID 113047421

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)s1
InChIInChI=1S/C15H13ClN4O2S2/c1-10-6-9-15(23-10)24(21,22)20-14-8-7-13(18-19-14)17-12-5-3-2-4-11(12)16/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyHSRXANUNRGPAKP-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.04
Rot. Bonds5

About N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 113047421) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
PubChem CID113047421
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)s1
InChIInChI=1S/C15H13ClN4O2S2/c1-10-6-9-15(23-10)24(21,22)20-14-8-7-13(18-19-14)17-12-5-3-2-4-11(12)16/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyHSRXANUNRGPAKP-UHFFFAOYSA-N
XLogP4.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
CID 75449103
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113042480
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (CID 113047421) is N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)s1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is HSRXANUNRGPAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c1-10-6-9-15(23-10)24(21,22)20-14-8-7-13(18-19-14)17-12-5-3-2-4-11(12)16/h2-9H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 380.88 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113047421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).