4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine

C14H17ClN2O4S3 — CID 43845732

IUPAC4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCCN(CC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S3/c1-4-17(5-2)13-12(16-14(22-13)23(3,18)19)24(20,21)11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyZDKLHMNPOKZABX-UHFFFAOYSA-N
MW408.95 g/mol
LogP2.88
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine

4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine (PubChem CID 43845732) has the molecular formula C14H17ClN2O4S3 and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
PubChem CID43845732
Molecular FormulaC14H17ClN2O4S3
Molecular Weight408.95 g/mol
Exact Mass408.00
IUPAC Name4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCCN(CC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S3/c1-4-17(5-2)13-12(16-14(22-13)23(3,18)19)24(20,21)11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyZDKLHMNPOKZABX-UHFFFAOYSA-N
XLogP2.88
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine (CID 43845732) is 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine is CCN(CC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is ZDKLHMNPOKZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S3/c1-4-17(5-2)13-12(16-14(22-13)23(3,18)19)24(20,21)11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine?
4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 408.95 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 43845732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).