1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

C12H13ClN2O2S2 — CID 110739044

IUPAC1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-2-4-11(13)5-3-10/h2-6,15H,7-8H2,1H3
InChIKeyYLVYRTBZOIFMBJ-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110739044) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID110739044
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-2-4-11(13)5-3-10/h2-6,15H,7-8H2,1H3
InChIKeyYLVYRTBZOIFMBJ-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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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 99605996
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
CID 114129362
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 110739044) is 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is YLVYRTBZOIFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-9-6-14-12(18-9)7-15-19(16,17)8-10-2-4-11(13)5-3-10/h2-6,15H,7-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-(4-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-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).