N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H13ClN2O3S2 — CID 60723797

IUPACN-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S2/c1-7(9-4-3-5-10(13)6-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16)
InChIKeyCCUYDHAXJRHVJE-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723797) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723797
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S2/c1-7(9-4-3-5-10(13)6-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16)
InChIKeyCCUYDHAXJRHVJE-UHFFFAOYSA-N
XLogP2.44
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138955
N-[(1S)-1-(3-chlorophenyl)ethyl]methanesulfonamide
CID 81371987
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138953
N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 42939515
N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884371
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60715980
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716075
N-[1-(2-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723882
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723898
N-[1-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723920
N-[1-(3,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723935
N-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723951

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723797) is N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CCUYDHAXJRHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-7(9-4-3-5-10(13)6-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).