3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C10H9F2N3O2S2 — CID 107343564

IUPAC3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCc2cscn2)c1F
InChIInChI=1S/C10H9F2N3O2S2/c11-7-1-2-8(9(12)10(7)13)19(16,17)15-3-6-4-18-5-14-6/h1-2,4-5,15H,3,13H2
InChIKeyQBJVZWIOTFCARF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 107343564) has the molecular formula C10H9F2N3O2S2 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID107343564
Molecular FormulaC10H9F2N3O2S2
Molecular Weight305.33 g/mol
Exact Mass305.01
IUPAC Name3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCc2cscn2)c1F
InChIInChI=1S/C10H9F2N3O2S2/c11-7-1-2-8(9(12)10(7)13)19(16,17)15-3-6-4-18-5-14-6/h1-2,4-5,15H,3,13H2
InChIKeyQBJVZWIOTFCARF-UHFFFAOYSA-N
XLogP1.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 80645779
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 102920800
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 110717401
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 107343635
methyl 4-amino-2-(1,3-thiazol-4-ylmethylsulfamoyl)benzoate
CID 102931258
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 107343653
2-amino-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824001
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 107343564) is 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NCc2cscn2)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is QBJVZWIOTFCARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S2/c11-7-1-2-8(9(12)10(7)13)19(16,17)15-3-6-4-18-5-14-6/h1-2,4-5,15H,3,13H2.
What are the key properties of 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107343564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).