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

C12H14N2O2S2 — CID 23603418

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-5-12(6-4-9)18(15,16)13-7-11-8-17-10(2)14-11/h3-6,8,13H,7H2,1-2H3
InChIKeyKSWDPHOWLLNFRM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.24
Rot. Bonds4

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 23603418) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID23603418
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-3-5-12(6-4-9)18(15,16)13-7-11-8-17-10(2)14-11/h3-6,8,13H,7H2,1-2H3
InChIKeyKSWDPHOWLLNFRM-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 23603418) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is KSWDPHOWLLNFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-3-5-12(6-4-9)18(15,16)13-7-11-8-17-10(2)14-11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23603418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).