N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide

C18H17ClN2O2S2 — CID 7216709

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H17ClN2O2S2/c1-13-2-8-17(9-3-13)25(22,23)20-11-10-16-12-24-18(21-16)14-4-6-15(19)7-5-14/h2-9,12,20H,10-11H2,1H3
InChIKeyMGFKQBXJQUEKCJ-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.29
Rot. Bonds6

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 7216709) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID7216709
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H17ClN2O2S2/c1-13-2-8-17(9-3-13)25(22,23)20-11-10-16-12-24-18(21-16)14-4-6-15(19)7-5-14/h2-9,12,20H,10-11H2,1H3
InChIKeyMGFKQBXJQUEKCJ-UHFFFAOYSA-N
XLogP4.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide (CID 7216709) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is MGFKQBXJQUEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-13-2-8-17(9-3-13)25(22,23)20-11-10-16-12-24-18(21-16)14-4-6-15(19)7-5-14/h2-9,12,20H,10-11H2,1H3.
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 392.93 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7216709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).