N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide

C17H14ClF6N3O2S — CID 4639971

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF6N3O2S/c1-3-7-27(26(2)15-14(18)9-12(10-25-15)17(22,23)24)30(28,29)13-6-4-5-11(8-13)16(19,20)21/h3-6,8-10H,1,7H2,2H3
InChIKeyIOEGYJHNDKEKOY-UHFFFAOYSA-N
MW473.83 g/mol
LogP5.00
Rot. Bonds6

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide (PubChem CID 4639971) has the molecular formula C17H14ClF6N3O2S and a molecular weight of 473.83 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide
PubChem CID4639971
Molecular FormulaC17H14ClF6N3O2S
Molecular Weight473.83 g/mol
Exact Mass473.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide
SMILESC=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF6N3O2S/c1-3-7-27(26(2)15-14(18)9-12(10-25-15)17(22,23)24)30(28,29)13-6-4-5-11(8-13)16(19,20)21/h3-6,8-10H,1,7H2,2H3
InChIKeyIOEGYJHNDKEKOY-UHFFFAOYSA-N
XLogP5.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 55.00
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
Arylsulfonylpiperazine, 25
CID 44237028
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
CID 4851243
2-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580522
4-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580524
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2800731
N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
CID 689341
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
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
N1-(2-pyridyl)-2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide
CID 2739437

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide (CID 4639971) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide is C=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide?
The InChIKey is IOEGYJHNDKEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF6N3O2S/c1-3-7-27(26(2)15-14(18)9-12(10-25-15)17(22,23)24)30(28,29)13-6-4-5-11(8-13)16(19,20)21/h3-6,8-10H,1,7H2,2H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide has a molecular weight of 473.83 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonohydrazide is sourced from PubChem (CID 4639971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).