4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H11ClN2O2S2 — CID 5244928

IUPAC4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C11H11ClN2O2S2/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyOQWJPBAEHNZEFM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.21
Rot. Bonds3

About 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5244928) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5244928
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C11H11ClN2O2S2/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyOQWJPBAEHNZEFM-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 5244928) is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C.
What is the InChIKey of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OQWJPBAEHNZEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 302.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).