4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole

C13H14ClNO2S2 — CID 47038679

IUPAC4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClNO2S2/c1-9(2)13-15-11(7-18-13)8-19(16,17)12-5-3-10(14)4-6-12/h3-7,9H,8H2,1-2H3
InChIKeyRIXRFIGOEKKTQG-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.89
Rot. Bonds4

About 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole

4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 47038679) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
PubChem CID47038679
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC Name4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClNO2S2/c1-9(2)13-15-11(7-18-13)8-19(16,17)12-5-3-10(14)4-6-12/h3-7,9H,8H2,1-2H3
InChIKeyRIXRFIGOEKKTQG-UHFFFAOYSA-N
XLogP3.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole (CID 47038679) is 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is RIXRFIGOEKKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c1-9(2)13-15-11(7-18-13)8-19(16,17)12-5-3-10(14)4-6-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 315.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 47038679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).