3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C10H9ClFN3O3S2 — CID 106379297

IUPAC3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2csc(=O)[nH]2)c1F
InChIInChI=1S/C10H9ClFN3O3S2/c11-5-1-7(13)9(12)8(2-5)20(17,18)14-3-6-4-19-10(16)15-6/h1-2,4,14H,3,13H2,(H,15,16)
InChIKeyPKAWKFVFBCQZDH-UHFFFAOYSA-N
MW337.79 g/mol
LogP1.29
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106379297) has the molecular formula C10H9ClFN3O3S2 and a molecular weight of 337.79 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID106379297
Molecular FormulaC10H9ClFN3O3S2
Molecular Weight337.79 g/mol
Exact Mass336.98
IUPAC Name3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2csc(=O)[nH]2)c1F
InChIInChI=1S/C10H9ClFN3O3S2/c11-5-1-7(13)9(12)8(2-5)20(17,18)14-3-6-4-19-10(16)15-6/h1-2,4,14H,3,13H2,(H,15,16)
InChIKeyPKAWKFVFBCQZDH-UHFFFAOYSA-N
XLogP1.29
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-amino-5-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103051432
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825
2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 104919318
2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
4-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181203
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 106379297) is 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCc2csc(=O)[nH]2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is PKAWKFVFBCQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O3S2/c11-5-1-7(13)9(12)8(2-5)20(17,18)14-3-6-4-19-10(16)15-6/h1-2,4,14H,3,13H2,(H,15,16).
What are the key properties of 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 337.79 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).