[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid

C6H5F3N2O3S — CID 102006525

IUPAC[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C6H5F3N2O3S/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14/h1-3H,(H,10,11)(H,12,13,14)
InChIKeyJIOXPKNFSWOEIU-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.32
Rot. Bonds2

About [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid

[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid (PubChem CID 102006525) has the molecular formula C6H5F3N2O3S and a molecular weight of 242.18 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
PubChem CID102006525
Molecular FormulaC6H5F3N2O3S
Molecular Weight242.18 g/mol
Exact Mass242.00
IUPAC Name[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
SMILESO=S(=O)(O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C6H5F3N2O3S/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14/h1-3H,(H,10,11)(H,12,13,14)
InChIKeyJIOXPKNFSWOEIU-UHFFFAOYSA-N
XLogP1.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid 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

sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 174221328
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
CID 174221344
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
CID 144695801
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid (CID 102006525) is [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid.
What is the SMILES notation for [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The canonical SMILES for [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid is O=S(=O)(O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
The InChIKey is JIOXPKNFSWOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3S/c7-6(8,9)4-1-2-10-5(3-4)11-15(12,13)14/h1-3H,(H,10,11)(H,12,13,14).
What are the key properties of [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid?
[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid has a molecular weight of 242.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-pyridinyl]sulfamic acid is sourced from PubChem (CID 102006525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).