4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide

C15H19ClN2O2S2 — CID 24863831

IUPAC4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1snc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
InChIInChI=1S/C15H19ClN2O2S2/c1-4-13-14(5-2)21-17-15(13)10(3)18-22(19,20)12-8-6-11(16)7-9-12/h6-10,18H,4-5H2,1-3H3
InChIKeyBWOXMTOYABXDRG-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.96
Rot. Bonds6

About 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24863831) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID24863831
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1snc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
InChIInChI=1S/C15H19ClN2O2S2/c1-4-13-14(5-2)21-17-15(13)10(3)18-22(19,20)12-8-6-11(16)7-9-12/h6-10,18H,4-5H2,1-3H3
InChIKeyBWOXMTOYABXDRG-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide (CID 24863831) is 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide is CCc1snc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC.
What is the InChIKey of 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is BWOXMTOYABXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-4-13-14(5-2)21-17-15(13)10(3)18-22(19,20)12-8-6-11(16)7-9-12/h6-10,18H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 358.92 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24863831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).