N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide

C18H17ClN4O2S — CID 113040848

IUPACN-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)ccc1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-11-15(7-8-16(13)19)26(24,25)23-18-10-9-17(21-22-18)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyGTAYVRVYFFGZIS-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.85
Rot. Bonds6

About N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide

N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide (PubChem CID 113040848) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
PubChem CID113040848
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)ccc1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-11-15(7-8-16(13)19)26(24,25)23-18-10-9-17(21-22-18)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyGTAYVRVYFFGZIS-UHFFFAOYSA-N
XLogP3.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide (CID 113040848) is N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)ccc1Cl.
What is the InChIKey of N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide?
The InChIKey is GTAYVRVYFFGZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-13-11-15(7-8-16(13)19)26(24,25)23-18-10-9-17(21-22-18)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide?
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113040848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).