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

C12H14N2O4S2 — CID 106383819

IUPAC4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc(CCO)cc2)cs1
InChIInChI=1S/C12H14N2O4S2/c15-6-5-9-1-3-11(4-2-9)20(17,18)13-7-10-8-19-12(16)14-10/h1-4,8,13,15H,5-7H2,(H,14,16)
InChIKeyXTPZXUFTILAQIY-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.45
Rot. Bonds6

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

4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106383819) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID106383819
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc(CCO)cc2)cs1
InChIInChI=1S/C12H14N2O4S2/c15-6-5-9-1-3-11(4-2-9)20(17,18)13-7-10-8-19-12(16)14-10/h1-4,8,13,15H,5-7H2,(H,14,16)
InChIKeyXTPZXUFTILAQIY-UHFFFAOYSA-N
XLogP0.45
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106382412
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 106379581
3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103774906
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383991
2-bromo-4-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383993
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106382394
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 106383322
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 106383819) is 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is O=c1[nH]c(CNS(=O)(=O)c2ccc(CCO)cc2)cs1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is XTPZXUFTILAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c15-6-5-9-1-3-11(4-2-9)20(17,18)13-7-10-8-19-12(16)14-10/h1-4,8,13,15H,5-7H2,(H,14,16).
What are the key properties of 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106383819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).