N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide

C10H7BrClFN2O2S2 — CID 61045427

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1Br)c1cnc(Cl)s1
InChIInChI=1S/C10H7BrClFN2O2S2/c11-8-2-1-7(13)3-6(8)4-15-19(16,17)9-5-14-10(12)18-9/h1-3,5,15H,4H2
InChIKeyVIDZVWGFJIWCQC-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 61045427) has the molecular formula C10H7BrClFN2O2S2 and a molecular weight of 385.67 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID61045427
Molecular FormulaC10H7BrClFN2O2S2
Molecular Weight385.67 g/mol
Exact Mass383.88
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1Br)c1cnc(Cl)s1
InChIInChI=1S/C10H7BrClFN2O2S2/c11-8-2-1-7(13)3-6(8)4-15-19(16,17)9-5-14-10(12)18-9/h1-3,5,15H,4H2
InChIKeyVIDZVWGFJIWCQC-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide (CID 61045427) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide is O=S(=O)(NCc1cc(F)ccc1Br)c1cnc(Cl)s1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is VIDZVWGFJIWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2O2S2/c11-8-2-1-7(13)3-6(8)4-15-19(16,17)9-5-14-10(12)18-9/h1-3,5,15H,4H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 385.67 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).