(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid

C16H13FN2O3S2 — CID 141245007

IUPAC(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid
SMILESO=S(=O)(O)N(Cc1ccc(-c2nccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-14-5-7-15(8-6-14)19(24(20,21)22)11-12-1-3-13(4-2-12)16-18-9-10-23-16/h1-10H,11H2,(H,20,21,22)
InChIKeyALSOPOLSKUPEFJ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.76
Rot. Bonds5

About (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid

(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid (PubChem CID 141245007) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid
PubChem CID141245007
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid
SMILESO=S(=O)(O)N(Cc1ccc(-c2nccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3S2/c17-14-5-7-15(8-6-14)19(24(20,21)22)11-12-1-3-13(4-2-12)16-18-9-10-23-16/h1-10H,11H2,(H,20,21,22)
InChIKeyALSOPOLSKUPEFJ-UHFFFAOYSA-N
XLogP3.76
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid?
The IUPAC name of (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid (CID 141245007) is (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid.
What is the SMILES notation for (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid?
The canonical SMILES for (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid is O=S(=O)(O)N(Cc1ccc(-c2nccs2)cc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid?
The InChIKey is ALSOPOLSKUPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c17-14-5-7-15(8-6-14)19(24(20,21)22)11-12-1-3-13(4-2-12)16-18-9-10-23-16/h1-10H,11H2,(H,20,21,22).
What are the key properties of (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid?
(4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid has a molecular weight of 364.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[[4-(1,3-thiazol-2-yl)phenyl]methyl]sulfamic acid is sourced from PubChem (CID 141245007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).