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1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

C12H13ClN2O2S2 — CID 110739043

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-4-2-3-5-11(10)13/h2-6,15H,7-8H2,1H3
InChIKeyXKULNQOJOUEOBZ-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110739043) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID110739043
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-4-2-3-5-11(10)13/h2-6,15H,7-8H2,1H3
InChIKeyXKULNQOJOUEOBZ-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 110739043) is 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is XKULNQOJOUEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-4-2-3-5-11(10)13/h2-6,15H,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110739043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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