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

C16H14N2O2S2 — CID 90626836

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)14-9-5-6-10-15(14)18-22(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyZSXWRWBXIYMGEH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.92
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 90626836) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID90626836
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)14-9-5-6-10-15(14)18-22(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyZSXWRWBXIYMGEH-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 90626836) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ZSXWRWBXIYMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-12-17-16(11-21-12)14-9-5-6-10-15(14)18-22(19,20)13-7-3-2-4-8-13/h2-11,18H,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90626836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).