N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide

C13H13ClN2O3S2 — CID 75462049

IUPACN-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c1-9(17)16(2)13-15-11(7-20-13)8-21(18,19)12-5-3-10(14)4-6-12/h3-7H,8H2,1-2H3
InChIKeyZKHNTAIFFDLXCS-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.75
Rot. Bonds4

About N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 75462049) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID75462049
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c1-9(17)16(2)13-15-11(7-20-13)8-21(18,19)12-5-3-10(14)4-6-12/h3-7H,8H2,1-2H3
InChIKeyZKHNTAIFFDLXCS-UHFFFAOYSA-N
XLogP2.75
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 75462049) is N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is ZKHNTAIFFDLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-9(17)16(2)13-15-11(7-20-13)8-21(18,19)12-5-3-10(14)4-6-12/h3-7H,8H2,1-2H3.
What are the key properties of N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 344.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 75462049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).