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

C16H14Cl2F3N3O2S — CID 1487243

IUPAC4-chloro-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)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2F3N3O2S/c1-3-8-24(27(25,26)13-6-4-12(17)5-7-13)23(2)15-14(18)9-11(10-22-15)16(19,20)21/h3-7,9-10H,1,8H2,2H3
InChIKeyWTYHSUXGGRMNOC-UHFFFAOYSA-N
MW440.27 g/mol
LogP4.64
Rot. Bonds6

About 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide

4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (PubChem CID 1487243) has the molecular formula C16H14Cl2F3N3O2S and a molecular weight of 440.27 g/mol. Its IUPAC name is 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
PubChem CID1487243
Molecular FormulaC16H14Cl2F3N3O2S
Molecular Weight440.27 g/mol
Exact Mass439.01
IUPAC Name4-chloro-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)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2F3N3O2S/c1-3-8-24(27(25,26)13-6-4-12(17)5-7-13)23(2)15-14(18)9-11(10-22-15)16(19,20)21/h3-7,9-10H,1,8H2,2H3
InChIKeyWTYHSUXGGRMNOC-UHFFFAOYSA-N
XLogP4.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 54.64
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'}

Analyze 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Arylsulfonylpiperazine, 20
CID 44237024
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 22
CID 44237026
N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 2809496
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
CID 4851243
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 2741412
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2800731
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethyl-1H-pyrrole-2-sulfonamide
CID 3798543
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylmethanesulfonohydrazide
CID 1476490
N-allyl-2,5-dichloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylbenzenesulfonohydrazide
CID 3521948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The IUPAC name of 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (CID 1487243) is 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The canonical SMILES for 4-chloro-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)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The InChIKey is WTYHSUXGGRMNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3N3O2S/c1-3-8-24(27(25,26)13-6-4-12(17)5-7-13)23(2)15-14(18)9-11(10-22-15)16(19,20)21/h3-7,9-10H,1,8H2,2H3.
What are the key properties of 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide has a molecular weight of 440.27 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide is sourced from PubChem (CID 1487243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).