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

C11H12N2O3S2 — CID 114133504

IUPAC2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccccc2CO)n1
InChIInChI=1S/C11H12N2O3S2/c1-8-7-17-11(12-8)13-18(15,16)10-5-3-2-4-9(10)6-14/h2-5,7,14H,6H2,1H3,(H,12,13)
InChIKeyFEXNUFWUOSESMT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds4

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

2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 114133504) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID114133504
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccccc2CO)n1
InChIInChI=1S/C11H12N2O3S2/c1-8-7-17-11(12-8)13-18(15,16)10-5-3-2-4-9(10)6-14/h2-5,7,14H,6H2,1H3,(H,12,13)
InChIKeyFEXNUFWUOSESMT-UHFFFAOYSA-N
XLogP1.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62149608
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
3-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 115993230
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935
1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 14578280

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 114133504) is 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccccc2CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FEXNUFWUOSESMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-8-7-17-11(12-8)13-18(15,16)10-5-3-2-4-9(10)6-14/h2-5,7,14H,6H2,1H3,(H,12,13).
What are the key properties of 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 114133504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).