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

C18H16ClFN2O2S2 — CID 55735135

IUPAC2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O2S2/c1-12-3-8-18(17(19)9-12)26(23,24)22(10-15-11-25-13(2)21-15)16-6-4-14(20)5-7-16/h3-9,11H,10H2,1-2H3
InChIKeyALVLXEGSUVTZTA-UHFFFAOYSA-N
MW410.92 g/mol
LogP4.95
Rot. Bonds5

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

2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 55735135) has the molecular formula C18H16ClFN2O2S2 and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID55735135
Molecular FormulaC18H16ClFN2O2S2
Molecular Weight410.92 g/mol
Exact Mass410.03
IUPAC Name2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O2S2/c1-12-3-8-18(17(19)9-12)26(23,24)22(10-15-11-25-13(2)21-15)16-6-4-14(20)5-7-16/h3-9,11H,10H2,1-2H3
InChIKeyALVLXEGSUVTZTA-UHFFFAOYSA-N
XLogP4.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 56581726
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
4-bromo-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 116528525
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
ethyl 2-(N-(4-bromo-2-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 60579266
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 62001633
2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
CID 24629182
5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55785030
N-(4-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55732537
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 55735135) is 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ALVLXEGSUVTZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2S2/c1-12-3-8-18(17(19)9-12)26(23,24)22(10-15-11-25-13(2)21-15)16-6-4-14(20)5-7-16/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 410.92 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55735135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).