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

C10H8F2N2O2S2 — CID 25037649

IUPAC3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,14)
InChIKeyMELKYWLUBNHKNH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.53
Rot. Bonds3

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

3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 25037649) has the molecular formula C10H8F2N2O2S2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID25037649
Molecular FormulaC10H8F2N2O2S2
Molecular Weight290.32 g/mol
Exact Mass290.00
IUPAC Name3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,14)
InChIKeyMELKYWLUBNHKNH-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 25037649) is 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MELKYWLUBNHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25037649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).