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

C12H12Cl2N2O3S2 — CID 60723953

IUPACN-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-3-4-9(13)10(14)5-8/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyPNYRJFLYPULRGO-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.87
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723953) has the molecular formula C12H12Cl2N2O3S2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723953
Molecular FormulaC12H12Cl2N2O3S2
Molecular Weight367.28 g/mol
Exact Mass365.97
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-3-4-9(13)10(14)5-8/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyPNYRJFLYPULRGO-UHFFFAOYSA-N
XLogP2.87
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723953) is N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is PNYRJFLYPULRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S2/c1-7-11(20-12(17)15-7)21(18,19)16(2)6-8-3-4-9(13)10(14)5-8/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 367.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).