1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C18H15Cl2FN2O2S2 — CID 56581726

IUPAC1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(c2ccc(F)cc2)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H15Cl2FN2O2S2/c1-12-22-15(10-26-12)9-23(16-5-3-14(21)4-6-16)27(24,25)11-13-2-7-17(19)18(20)8-13/h2-8,10H,9,11H2,1H3
InChIKeyJLFYFNXHBLGDCF-UHFFFAOYSA-N
MW445.37 g/mol
LogP5.43
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 56581726) has the molecular formula C18H15Cl2FN2O2S2 and a molecular weight of 445.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID56581726
Molecular FormulaC18H15Cl2FN2O2S2
Molecular Weight445.37 g/mol
Exact Mass443.99
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(c2ccc(F)cc2)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C18H15Cl2FN2O2S2/c1-12-22-15(10-26-12)9-23(16-5-3-14(21)4-6-16)27(24,25)11-13-2-7-17(19)18(20)8-13/h2-8,10H,9,11H2,1H3
InChIKeyJLFYFNXHBLGDCF-UHFFFAOYSA-N
XLogP5.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide 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

1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
CID 56512863
2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 55735135
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 97157432
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2-chloro-5-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 80698264
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800032
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 56581726) is 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is JLFYFNXHBLGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2S2/c1-12-22-15(10-26-12)9-23(16-5-3-14(21)4-6-16)27(24,25)11-13-2-7-17(19)18(20)8-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 445.37 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 56581726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).