N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide

C17H15ClN4O2S — CID 113047599

IUPACN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H15ClN4O2S/c1-12-4-2-3-5-15(12)25(23,24)22-17-11-10-16(20-21-17)19-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyNIRPFHXRFHPONG-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.98
Rot. Bonds5

About N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 113047599) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID113047599
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H15ClN4O2S/c1-12-4-2-3-5-15(12)25(23,24)22-17-11-10-16(20-21-17)19-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyNIRPFHXRFHPONG-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040001
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
CID 86807271
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide (CID 113047599) is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is NIRPFHXRFHPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-12-4-2-3-5-15(12)25(23,24)22-17-11-10-16(20-21-17)19-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide?
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113047599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).