N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide

C13H14F2N2O2S2 — CID 66905754

IUPACN-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)c(-c2nccs2)c1F
InChIInChI=1S/C13H14F2N2O2S2/c1-13(2,3)17-21(18,19)9-5-4-8(14)10(11(9)15)12-16-6-7-20-12/h4-7,17H,1-3H3
InChIKeySPXLYDFMRAYQPZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.17
Rot. Bonds3

About N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide

N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 66905754) has the molecular formula C13H14F2N2O2S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID66905754
Molecular FormulaC13H14F2N2O2S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC NameN-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)c(-c2nccs2)c1F
InChIInChI=1S/C13H14F2N2O2S2/c1-13(2,3)17-21(18,19)9-5-4-8(14)10(11(9)15)12-16-6-7-20-12/h4-7,17H,1-3H3
InChIKeySPXLYDFMRAYQPZ-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide (CID 66905754) is N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(F)c(-c2nccs2)c1F.
What is the InChIKey of N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SPXLYDFMRAYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S2/c1-13(2,3)17-21(18,19)9-5-4-8(14)10(11(9)15)12-16-6-7-20-12/h4-7,17H,1-3H3.
What are the key properties of N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide?
N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 66905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).