N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H13FN2O3S2 — CID 60716028

IUPACN-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)14-8)20(17,18)15(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyMBNYRPAGZOSNFR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.70
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60716028) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60716028
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC NameN-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)14-8)20(17,18)15(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyMBNYRPAGZOSNFR-UHFFFAOYSA-N
XLogP1.70
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60716028) is N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MBNYRPAGZOSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)14-8)20(17,18)15(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60716028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).