4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine

C16H15ClN2O4S4 — CID 20888826

IUPAC4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccs2)s1
InChIInChI=1S/C16H15ClN2O4S4/c1-2-26(20,21)16-19-15(14(25-16)18-10-12-4-3-9-24-12)27(22,23)13-7-5-11(17)6-8-13/h3-9,18H,2,10H2,1H3
InChIKeyOIAUWDLLORTUFS-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.10
Rot. Bonds7

About 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine (PubChem CID 20888826) has the molecular formula C16H15ClN2O4S4 and a molecular weight of 463.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine
PubChem CID20888826
Molecular FormulaC16H15ClN2O4S4
Molecular Weight463.03 g/mol
Exact Mass461.96
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccs2)s1
InChIInChI=1S/C16H15ClN2O4S4/c1-2-26(20,21)16-19-15(14(25-16)18-10-12-4-3-9-24-12)27(22,23)13-7-5-11(17)6-8-13/h3-9,18H,2,10H2,1H3
InChIKeyOIAUWDLLORTUFS-UHFFFAOYSA-N
XLogP4.10
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine
CID 20888811
2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
CID 20888758
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
CID 20888766
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
CID 40870151
4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2-propylsulfonyl-1,3-thiazol-5-amine
CID 20888868
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[(1R)-1-phenylethyl]-1,3-thiazol-5-amine
CID 40870153
3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133850
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 24537811
4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
CID 43845732
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
(2S)-1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 92865542

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine (CID 20888826) is 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine is CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccs2)s1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine?
The InChIKey is OIAUWDLLORTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S4/c1-2-26(20,21)16-19-15(14(25-16)18-10-12-4-3-9-24-12)27(22,23)13-7-5-11(17)6-8-13/h3-9,18H,2,10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine has a molecular weight of 463.03 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 20888826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).