4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O3S2 — CID 61481092

IUPAC4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C12H14N2O3S2/c1-8(2)11-7-18-12(13-11)14-19(16,17)10-5-3-9(15)4-6-10/h3-8,15H,1-2H3,(H,13,14)
InChIKeyLVNLQAZUWYNQLK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.77
Rot. Bonds4

About 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61481092) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61481092
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C12H14N2O3S2/c1-8(2)11-7-18-12(13-11)14-19(16,17)10-5-3-9(15)4-6-10/h3-8,15H,1-2H3,(H,13,14)
InChIKeyLVNLQAZUWYNQLK-UHFFFAOYSA-N
XLogP2.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106267684
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 26011305
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 30715818

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61481092) is 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is CC(C)c1csc(NS(=O)(=O)c2ccc(O)cc2)n1.
What is the InChIKey of 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LVNLQAZUWYNQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8(2)11-7-18-12(13-11)14-19(16,17)10-5-3-9(15)4-6-10/h3-8,15H,1-2H3,(H,13,14).
What are the key properties of 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).