5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H12ClF3N4O3S — CID 107480756

IUPAC5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H12ClF3N4O3S/c10-7-3-6(4-15-8(7)16-14)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16)
InChIKeyOKHNHAOLGHIVKU-UHFFFAOYSA-N
MW348.73 g/mol
LogP0.57
Rot. Bonds6

About 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 107480756) has the molecular formula C9H12ClF3N4O3S and a molecular weight of 348.73 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID107480756
Molecular FormulaC9H12ClF3N4O3S
Molecular Weight348.73 g/mol
Exact Mass348.03
IUPAC Name5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H12ClF3N4O3S/c10-7-3-6(4-15-8(7)16-14)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16)
InChIKeyOKHNHAOLGHIVKU-UHFFFAOYSA-N
XLogP0.57
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
CID 4851243
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 4851242
2-[(5-Chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid
CID 14670072
2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 75387454
5-Chloro-6-hydrazinylpyridine-3-sulfonamide
CID 20144058
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(3-fluorophenyl)sulfonyl]hydrazinecarboxamide
CID 1500253
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-fluorophenyl)sulfonyl]hydrazinecarboxamide
CID 1500255
N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]morpholine-4-carboximidamide
CID 3543207
Methyl (Z)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(phenylsulfonyl)hydrazine-1-carbimidothioate
CID 3750787
1-Amino-2-(benzenesulfonyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]guanidine
CID 3824235
N-[{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}(morpholino)methylene]benzenesulfonamide
CID 5856397
N-[{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}(methylsulfanyl)methylene]benzenesulfonamide
CID 5912637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 107480756) is 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)N(CCO)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is OKHNHAOLGHIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N4O3S/c10-7-3-6(4-15-8(7)16-14)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16).
What are the key properties of 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 348.73 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).