(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C17H17ClFNO4S — CID 18285897

IUPAC(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H17ClFNO4S/c1-11-3-6-15(7-12(11)2)25(22,23)20-9-17(21)24-10-13-4-5-14(19)8-16(13)18/h3-8,20H,9-10H2,1-2H3
InChIKeyMMMDTRQQVDUCEP-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.12
Rot. Bonds6

About (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 18285897) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID18285897
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Name(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H17ClFNO4S/c1-11-3-6-15(7-12(11)2)25(22,23)20-9-17(21)24-10-13-4-5-14(19)8-16(13)18/h3-8,20H,9-10H2,1-2H3
InChIKeyMMMDTRQQVDUCEP-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 18285897) is (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2Cl)cc1C.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is MMMDTRQQVDUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c1-11-3-6-15(7-12(11)2)25(22,23)20-9-17(21)24-10-13-4-5-14(19)8-16(13)18/h3-8,20H,9-10H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
(2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 385.84 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 18285897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).