2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H10F2N2O2S2 — CID 3240550

IUPAC2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2O2S2/c1-7-15-9(6-18-7)5-14-19(16,17)11-4-8(12)2-3-10(11)13/h2-4,6,14H,5H2,1H3
InChIKeyZCMJBUDRLOFGEZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.21
Rot. Bonds4

About 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 3240550) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID3240550
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H10F2N2O2S2/c1-7-15-9(6-18-7)5-14-19(16,17)11-4-8(12)2-3-10(11)13/h2-4,6,14H,5H2,1H3
InChIKeyZCMJBUDRLOFGEZ-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 3240550) is 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cc(F)ccc2F)cs1.
What is the InChIKey of 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZCMJBUDRLOFGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c1-7-15-9(6-18-7)5-14-19(16,17)11-4-8(12)2-3-10(11)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 304.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3240550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).