2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide

C12H12Cl2N2O2S2 — CID 61052546

IUPAC2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-2-10(8-3-5-9(13)6-4-8)16-20(17,18)11-7-15-12(14)19-11/h3-7,10,16H,2H2,1H3
InChIKeyBCJRCVOEWDVZDW-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61052546) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
PubChem CID61052546
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-2-10(8-3-5-9(13)6-4-8)16-20(17,18)11-7-15-12(14)19-11/h3-7,10,16H,2H2,1H3
InChIKeyBCJRCVOEWDVZDW-UHFFFAOYSA-N
XLogP3.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051781
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide (CID 61052546) is 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide is CCC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is BCJRCVOEWDVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-2-10(8-3-5-9(13)6-4-8)16-20(17,18)11-7-15-12(14)19-11/h3-7,10,16H,2H2,1H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).