2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C18H13ClF3N3O3S — CID 41247209

IUPAC2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClF3N3O3S/c1-25-17(26)9-8-15(23-25)11-2-5-13(6-3-11)24-29(27,28)16-10-12(18(20,21)22)4-7-14(16)19/h2-10,24H,1H3
InChIKeyVXJXFTJBRRKJTE-UHFFFAOYSA-N
MW443.83 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 41247209) has the molecular formula C18H13ClF3N3O3S and a molecular weight of 443.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID41247209
Molecular FormulaC18H13ClF3N3O3S
Molecular Weight443.83 g/mol
Exact Mass443.03
IUPAC Name2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClF3N3O3S/c1-25-17(26)9-8-15(23-25)11-2-5-13(6-3-11)24-29(27,28)16-10-12(18(20,21)22)4-7-14(16)19/h2-10,24H,1H3
InChIKeyVXJXFTJBRRKJTE-UHFFFAOYSA-N
XLogP3.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 41247187
4-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247179
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 11569537
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 41247209) is 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)ccc1=O.
What is the InChIKey of 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VXJXFTJBRRKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3S/c1-25-17(26)9-8-15(23-25)11-2-5-13(6-3-11)24-29(27,28)16-10-12(18(20,21)22)4-7-14(16)19/h2-10,24H,1H3.
What are the key properties of 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 443.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 41247209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).