4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide

C15H15Cl2N5O2S — CID 72535691

IUPAC4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2nnc(Cl)cc21
InChIInChI=1S/C15H15Cl2N5O2S/c1-3-22-12-8-13(17)19-20-14(12)18-15(22)9(2)21-25(23,24)11-6-4-10(16)5-7-11/h4-9,21H,3H2,1-2H3
InChIKeySHAFEXCKWSGICV-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide (PubChem CID 72535691) has the molecular formula C15H15Cl2N5O2S and a molecular weight of 400.29 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
PubChem CID72535691
Molecular FormulaC15H15Cl2N5O2S
Molecular Weight400.29 g/mol
Exact Mass399.03
IUPAC Name4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2nnc(Cl)cc21
InChIInChI=1S/C15H15Cl2N5O2S/c1-3-22-12-8-13(17)19-20-14(12)18-15(22)9(2)21-25(23,24)11-6-4-10(16)5-7-11/h4-9,21H,3H2,1-2H3
InChIKeySHAFEXCKWSGICV-UHFFFAOYSA-N
XLogP3.19
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
4-chloro-N-[(1R)-1-(1-ethyl-4-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177269
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
CID 143667876
N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 71098176
4-chloro-N-[1-(4-ethyl-5-methylsulfinyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 76596899
4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 19582261
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
3-amino-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 89272255
3-chloro-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 72535695
N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzenesulfonamide
CID 3626557

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide (CID 72535691) is 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2nnc(Cl)cc21.
What is the InChIKey of 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is SHAFEXCKWSGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2S/c1-3-22-12-8-13(17)19-20-14(12)18-15(22)9(2)21-25(23,24)11-6-4-10(16)5-7-11/h4-9,21H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 400.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 72535691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).