4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide

C17H15ClN4O2S — CID 113045875

IUPAC4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-12-2-6-14(7-3-12)19-16-10-11-17(21-20-16)22-25(23,24)15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyFHZZUCPZZXBZHD-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.98
Rot. Bonds5

About 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide

4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113045875) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113045875
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-12-2-6-14(7-3-12)19-16-10-11-17(21-20-16)22-25(23,24)15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyFHZZUCPZZXBZHD-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-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113045875) is 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is FHZZUCPZZXBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-12-2-6-14(7-3-12)19-16-10-11-17(21-20-16)22-25(23,24)15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide 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 4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113045875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).