1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

C14H16ClFN2O2S2 — CID 99718849

IUPAC1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCc1cnc(CCN(C)S(=O)(=O)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C14H16ClFN2O2S2/c1-10-8-17-14(21-10)5-6-18(2)22(19,20)9-11-7-12(15)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyNEJGDACBJQHFLA-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.25
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 99718849) has the molecular formula C14H16ClFN2O2S2 and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID99718849
Molecular FormulaC14H16ClFN2O2S2
Molecular Weight362.88 g/mol
Exact Mass362.03
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCc1cnc(CCN(C)S(=O)(=O)Cc2cc(Cl)ccc2F)s1
InChIInChI=1S/C14H16ClFN2O2S2/c1-10-8-17-14(21-10)5-6-18(2)22(19,20)9-11-7-12(15)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyNEJGDACBJQHFLA-UHFFFAOYSA-N
XLogP3.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 99718849) is 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is Cc1cnc(CCN(C)S(=O)(=O)Cc2cc(Cl)ccc2F)s1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is NEJGDACBJQHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2S2/c1-10-8-17-14(21-10)5-6-18(2)22(19,20)9-11-7-12(15)3-4-13(11)16/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 99718849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).