2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide

C16H13Cl3F3N3O2S — CID 3521948

IUPAC2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3F3N3O2S/c1-3-6-25(28(26,27)14-8-11(17)4-5-12(14)18)24(2)15-13(19)7-10(9-23-15)16(20,21)22/h3-5,7-9H,1,6H2,2H3
InChIKeyLSNAESLCPDPZTM-UHFFFAOYSA-N
MW474.72 g/mol
LogP5.29
Rot. Bonds6

About 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide

2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (PubChem CID 3521948) has the molecular formula C16H13Cl3F3N3O2S and a molecular weight of 474.72 g/mol. Its IUPAC name is 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
PubChem CID3521948
Molecular FormulaC16H13Cl3F3N3O2S
Molecular Weight474.72 g/mol
Exact Mass472.97
IUPAC Name2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3F3N3O2S/c1-3-6-25(28(26,27)14-8-11(17)4-5-12(14)18)24(2)15-13(19)7-10(9-23-15)16(20,21)22/h3-5,7-9H,1,6H2,2H3
InChIKeyLSNAESLCPDPZTM-UHFFFAOYSA-N
XLogP5.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Arylsulfonylpiperazine, 20
CID 44237024
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 22
CID 44237026
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
CID 4851243
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2800731
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
CID 1476490
N-allyl-4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylbenzenesulfonohydrazide
CID 1487243
N-allyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(trifluoromethyl)benzenesulfonohydrazide
CID 4639971
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4851242
((2,5-Dichlorophenyl)sulfonyl)-2-pyridylamine
CID 669153
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 2123604
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide
CID 1476864

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The IUPAC name of 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (CID 3521948) is 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The canonical SMILES for 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide is C=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The InChIKey is LSNAESLCPDPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3F3N3O2S/c1-3-6-25(28(26,27)14-8-11(17)4-5-12(14)18)24(2)15-13(19)7-10(9-23-15)16(20,21)22/h3-5,7-9H,1,6H2,2H3.
What are the key properties of 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide has a molecular weight of 474.72 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide is sourced from PubChem (CID 3521948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).