3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C12H13ClN2O3S2 — CID 10125836

IUPAC3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCO)s1
InChIInChI=1S/C12H13ClN2O3S2/c1-8-10(13)3-2-4-11(8)20(17,18)15-12-14-7-9(19-12)5-6-16/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyKZBVCZUBJCBMTD-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.44
Rot. Bonds5

About 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10125836) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID10125836
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCO)s1
InChIInChI=1S/C12H13ClN2O3S2/c1-8-10(13)3-2-4-11(8)20(17,18)15-12-14-7-9(19-12)5-6-16/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyKZBVCZUBJCBMTD-UHFFFAOYSA-N
XLogP2.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10237339
3-chloro-2-methyl-N-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 10309921
3-chloro-2-methyl-N-[5-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 21980173
N-[5-[2-amino-2-(trifluoromethylsulfonyl)ethyl]-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 90972048
[2-Chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol
CID 145181719
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 105955623
4-chloro-3-fluoro-5-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 105955644
3-chloro-2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 9822380
3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10126154
3-chloro-N-[5-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10150043
3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 10193911
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide
CID 10215781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 10125836) is 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCO)s1.
What is the InChIKey of 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is KZBVCZUBJCBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-8-10(13)3-2-4-11(8)20(17,18)15-12-14-7-9(19-12)5-6-16/h2-4,7,16H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10125836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).