N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

C12H12BrClN2O2S2 — CID 61053706

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN2O2S2/c1-7(9-3-5-10(13)6-4-9)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3
InChIKeyQDSXULYILVFFDB-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61053706) has the molecular formula C12H12BrClN2O2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61053706
Molecular FormulaC12H12BrClN2O2S2
Molecular Weight395.73 g/mol
Exact Mass393.92
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN2O2S2/c1-7(9-3-5-10(13)6-4-9)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3
InChIKeyQDSXULYILVFFDB-UHFFFAOYSA-N
XLogP3.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
2-chloro-N-[1-(4-cyanophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 61040952
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 54954779
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64603212
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (CID 61053706) is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is QDSXULYILVFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S2/c1-7(9-3-5-10(13)6-4-9)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 395.73 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).