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

C17H17ClF3N3O3S — CID 1476494

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17ClF3N3O3S/c1-4-9-24(28(25,26)14-7-5-13(27-3)6-8-14)23(2)16-15(18)10-12(11-22-16)17(19,20)21/h4-8,10-11H,1,9H2,2-3H3
InChIKeyAQWBPGOGCRRTSW-UHFFFAOYSA-N
MW435.86 g/mol
LogP3.99
Rot. Bonds7

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (PubChem CID 1476494) has the molecular formula C17H17ClF3N3O3S and a molecular weight of 435.86 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
PubChem CID1476494
Molecular FormulaC17H17ClF3N3O3S
Molecular Weight435.86 g/mol
Exact Mass435.06
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17ClF3N3O3S/c1-4-9-24(28(25,26)14-7-5-13(27-3)6-8-14)23(2)16-15(18)10-12(11-22-16)17(19,20)21/h4-8,10-11H,1,9H2,2-3H3
InChIKeyAQWBPGOGCRRTSW-UHFFFAOYSA-N
XLogP3.99
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 1476492
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 26045740
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583
N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935232
N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-4-methoxybenzenesulfonamide
CID 2821309
N-(5-methyl-2-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5237912
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzenesulfonamide
CID 39660293
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 39660538
N-(5-chloropyridin-2-yl)-4-ethoxybenzene-1-sulfonamide
CID 2920868
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane
CID 6735506

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide (CID 1476494) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide is C=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
The InChIKey is AQWBPGOGCRRTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O3S/c1-4-9-24(28(25,26)14-7-5-13(27-3)6-8-14)23(2)16-15(18)10-12(11-22-16)17(19,20)21/h4-8,10-11H,1,9H2,2-3H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide has a molecular weight of 435.86 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methyl-N-prop-2-enylbenzenesulfonohydrazide is sourced from PubChem (CID 1476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).