3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C16H13FN2O2S2 — CID 175969282

IUPAC3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C16H13FN2O2S2/c1-11-14(17)6-3-7-16(11)23(20,21)19-13-5-2-4-12(8-13)15-9-22-10-18-15/h2-10,19H,1H3
InChIKeyOAAKSSDVQAUSHX-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.06
Rot. Bonds4

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

3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 175969282) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID175969282
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C16H13FN2O2S2/c1-11-14(17)6-3-7-16(11)23(20,21)19-13-5-2-4-12(8-13)15-9-22-10-18-15/h2-10,19H,1H3
InChIKeyOAAKSSDVQAUSHX-UHFFFAOYSA-N
XLogP4.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 175969282) is 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2cscn2)c1.
What is the InChIKey of 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is OAAKSSDVQAUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c1-11-14(17)6-3-7-16(11)23(20,21)19-13-5-2-4-12(8-13)15-9-22-10-18-15/h2-10,19H,1H3.
What are the key properties of 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[3-(1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175969282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).