3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide

C18H16F2N2O2S2 — CID 121121985

IUPAC3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C18H16F2N2O2S2/c1-11-5-3-4-6-14(11)18-22-12(2)17(25-18)10-21-26(23,24)13-7-8-15(19)16(20)9-13/h3-9,21H,10H2,1-2H3
InChIKeyKXQYGVRMSMRUNR-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.18
Rot. Bonds5

About 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide

3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 121121985) has the molecular formula C18H16F2N2O2S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
PubChem CID121121985
Molecular FormulaC18H16F2N2O2S2
Molecular Weight394.47 g/mol
Exact Mass394.06
IUPAC Name3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C18H16F2N2O2S2/c1-11-5-3-4-6-14(11)18-22-12(2)17(25-18)10-21-26(23,24)13-7-8-15(19)16(20)9-13/h3-9,21H,10H2,1-2H3
InChIKeyKXQYGVRMSMRUNR-UHFFFAOYSA-N
XLogP4.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121901
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355
4-butoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121906
2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121937
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide
CID 71795509
2-methyl-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-nitrobenzenesulfonamide
CID 121121924
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide (CID 121121985) is 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide is Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is KXQYGVRMSMRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S2/c1-11-5-3-4-6-14(11)18-22-12(2)17(25-18)10-21-26(23,24)13-7-8-15(19)16(20)9-13/h3-9,21H,10H2,1-2H3.
What are the key properties of 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).