2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

C19H16ClFN2O3S2 — CID 55732627

IUPAC2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H16ClFN2O3S2/c1-12-22-14(11-27-12)10-23(15-5-3-13(21)4-6-15)19(24)17-9-16(28(2,25)26)7-8-18(17)20/h3-9,11H,10H2,1-2H3
InChIKeyWPMHIDWLLMGJDJ-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.49
Rot. Bonds5

About 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 55732627) has the molecular formula C19H16ClFN2O3S2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID55732627
Molecular FormulaC19H16ClFN2O3S2
Molecular Weight438.93 g/mol
Exact Mass438.03
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H16ClFN2O3S2/c1-12-22-14(11-27-12)10-23(15-5-3-13(21)4-6-15)19(24)17-9-16(28(2,25)26)7-8-18(17)20/h3-9,11H,10H2,1-2H3
InChIKeyWPMHIDWLLMGJDJ-UHFFFAOYSA-N
XLogP4.49
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
(2-methyl-1,3-thiazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7725960
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55785030
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 56581726
2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 55735135
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 55732752
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 55732627) is 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is WPMHIDWLLMGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S2/c1-12-22-14(11-27-12)10-23(15-5-3-13(21)4-6-15)19(24)17-9-16(28(2,25)26)7-8-18(17)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 438.93 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55732627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).