N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide

C19H16F3N3O3S2 — CID 140537439

IUPACN-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2CNC(=O)c2ccccc2)cs1
InChIInChI=1S/C19H16F3N3O3S2/c1-12-24-17(11-29-12)25-30(27,28)16-9-15(19(20,21)22)8-7-14(16)10-23-18(26)13-5-3-2-4-6-13/h2-9,11,25H,10H2,1H3,(H,23,26)
InChIKeyMKIRMDYFEHPLQB-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.20
Rot. Bonds6

About N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide

N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 140537439) has the molecular formula C19H16F3N3O3S2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID140537439
Molecular FormulaC19H16F3N3O3S2
Molecular Weight455.48 g/mol
Exact Mass455.06
IUPAC NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2CNC(=O)c2ccccc2)cs1
InChIInChI=1S/C19H16F3N3O3S2/c1-12-24-17(11-29-12)25-30(27,28)16-9-15(19(20,21)22)8-7-14(16)10-23-18(26)13-5-3-2-4-6-13/h2-9,11,25H,10H2,1H3,(H,23,26)
InChIKeyMKIRMDYFEHPLQB-UHFFFAOYSA-N
XLogP4.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide (CID 140537439) is N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2CNC(=O)c2ccccc2)cs1.
What is the InChIKey of N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is MKIRMDYFEHPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S2/c1-12-24-17(11-29-12)25-30(27,28)16-9-15(19(20,21)22)8-7-14(16)10-23-18(26)13-5-3-2-4-6-13/h2-9,11,25H,10H2,1H3,(H,23,26).
What are the key properties of N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide?
N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 455.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyl-1,3-thiazol-4-yl)sulfamoyl]-4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 140537439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).