3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C12H14N2O3S2 — CID 81258946

IUPAC3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H14N2O3S2/c1-9-12(18-8-13-9)7-14(2)19(16,17)11-5-3-4-10(15)6-11/h3-6,8,15H,7H2,1-2H3
InChIKeyUPAIKJJIBLBXOA-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.98
Rot. Bonds4

About 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 81258946) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID81258946
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H14N2O3S2/c1-9-12(18-8-13-9)7-14(2)19(16,17)11-5-3-4-10(15)6-11/h3-6,8,15H,7H2,1-2H3
InChIKeyUPAIKJJIBLBXOA-UHFFFAOYSA-N
XLogP1.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
3-chloro-4-(hydroxymethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 107090790
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
3-amino-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842225
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 55261779
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106268270
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 81258946) is 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncsc1CN(C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is UPAIKJJIBLBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-9-12(18-8-13-9)7-14(2)19(16,17)11-5-3-4-10(15)6-11/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 81258946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).