4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide

C18H16F2N2O2S2 — CID 7530810

IUPAC4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)ccc1F
InChIInChI=1S/C18H16F2N2O2S2/c1-12-9-16(5-6-17(12)20)26(23,24)21-8-7-15-11-25-18(22-15)13-3-2-4-14(19)10-13/h2-6,9-11,21H,7-8H2,1H3
InChIKeyGLMHGPRVYOLIDK-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds6

About 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide (PubChem CID 7530810) has the molecular formula C18H16F2N2O2S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide
PubChem CID7530810
Molecular FormulaC18H16F2N2O2S2
Molecular Weight394.47 g/mol
Exact Mass394.06
IUPAC Name4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)ccc1F
InChIInChI=1S/C18H16F2N2O2S2/c1-12-9-16(5-6-17(12)20)26(23,24)21-8-7-15-11-25-18(22-15)13-3-2-4-14(19)10-13/h2-6,9-11,21H,7-8H2,1H3
InChIKeyGLMHGPRVYOLIDK-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide 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-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4851019
1-[5-(benzenesulfonyl)-4-phenyl-1,3-thiazol-2-yl]-N-methylmethanamine
CID 57687718
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide (CID 7530810) is 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is GLMHGPRVYOLIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S2/c1-12-9-16(5-6-17(12)20)26(23,24)21-8-7-15-11-25-18(22-15)13-3-2-4-14(19)10-13/h2-6,9-11,21H,7-8H2,1H3.
What are the key properties of 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 7530810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).