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

C13H15N3O3S2 — CID 22242920

IUPACN-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(N2CC(O)C2)n1)c1ccccc1
InChIInChI=1S/C13H15N3O3S2/c17-11-7-16(8-11)13-15-10(9-20-13)6-14-21(18,19)12-4-2-1-3-5-12/h1-5,9,11,14,17H,6-8H2
InChIKeyRGYVHIXOPIJXMA-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.80
Rot. Bonds5

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

N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (PubChem CID 22242920) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
PubChem CID22242920
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(N2CC(O)C2)n1)c1ccccc1
InChIInChI=1S/C13H15N3O3S2/c17-11-7-16(8-11)13-15-10(9-20-13)6-14-21(18,19)12-4-2-1-3-5-12/h1-5,9,11,14,17H,6-8H2
InChIKeyRGYVHIXOPIJXMA-UHFFFAOYSA-N
XLogP0.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 63106764
4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 108784354
4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728005
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
1-[4-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354937
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (CID 22242920) is N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1csc(N2CC(O)C2)n1)c1ccccc1.
What is the InChIKey of N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is RGYVHIXOPIJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-11-7-16(8-11)13-15-10(9-20-13)6-14-21(18,19)12-4-2-1-3-5-12/h1-5,9,11,14,17H,6-8H2.
What are the key properties of N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 22242920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).