methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate

C16H15ClFNO4S — CID 100503497

IUPACmethyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate
SMILESCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11-3-6-13(9-15(11)17)19(10-16(20)23-2)24(21,22)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3
InChIKeySRXKSBNYFWERLK-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate

methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate (PubChem CID 100503497) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate
PubChem CID100503497
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Namemethyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate
SMILESCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11-3-6-13(9-15(11)17)19(10-16(20)23-2)24(21,22)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3
InChIKeySRXKSBNYFWERLK-UHFFFAOYSA-N
XLogP3.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate?
The IUPAC name of methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate (CID 100503497) is methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate is COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate?
The InChIKey is SRXKSBNYFWERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c1-11-3-6-13(9-15(11)17)19(10-16(20)23-2)24(21,22)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate?
methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate has a molecular weight of 371.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate is sourced from PubChem (CID 100503497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).