5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C12H13ClN2O3S2 — CID 82890856

IUPAC5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C12H13ClN2O3S2/c1-8-9(7-16)4-10(13)5-11(8)20(17,18)15-6-12-14-2-3-19-12/h2-5,15-16H,6-7H2,1H3
InChIKeyPYPJHGWEGWHVCC-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.08
Rot. Bonds5

About 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 82890856) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID82890856
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C12H13ClN2O3S2/c1-8-9(7-16)4-10(13)5-11(8)20(17,18)15-6-12-14-2-3-19-12/h2-5,15-16H,6-7H2,1H3
InChIKeyPYPJHGWEGWHVCC-UHFFFAOYSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 82890856) is 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Cc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1nccs1.
What is the InChIKey of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is PYPJHGWEGWHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-8-9(7-16)4-10(13)5-11(8)20(17,18)15-6-12-14-2-3-19-12/h2-5,15-16H,6-7H2,1H3.
What are the key properties of 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 82890856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).