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

C11H12N2O2S2 — CID 742422

IUPAC4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-11-12-9(2)7-16-11/h3-7H,1-2H3,(H,12,13)
InChIKeyDTYDCLWWNHFHRJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

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

4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 742422) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID742422
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-11-12-9(2)7-16-11/h3-7H,1-2H3,(H,12,13)
InChIKeyDTYDCLWWNHFHRJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 742422) is 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DTYDCLWWNHFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-3-5-10(6-4-8)17(14,15)13-11-12-9(2)7-16-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 742422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).