ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

C14H13F2NO4S2 — CID 8515185

IUPACethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2F)cc1C
InChIInChI=1S/C14H13F2NO4S2/c1-3-21-14(18)12-8(2)7-11(22-12)17-23(19,20)13-9(15)5-4-6-10(13)16/h4-7,17H,3H2,1-2H3
InChIKeyKQHSZNICKVJOKE-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (PubChem CID 8515185) has the molecular formula C14H13F2NO4S2 and a molecular weight of 361.39 g/mol. Its IUPAC name is ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
PubChem CID8515185
Molecular FormulaC14H13F2NO4S2
Molecular Weight361.39 g/mol
Exact Mass361.03
IUPAC Nameethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2F)cc1C
InChIInChI=1S/C14H13F2NO4S2/c1-3-21-14(18)12-8(2)7-11(22-12)17-23(19,20)13-9(15)5-4-6-10(13)16/h4-7,17H,3H2,1-2H3
InChIKeyKQHSZNICKVJOKE-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (CID 8515185) is ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2F)cc1C.
What is the InChIKey of ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is KQHSZNICKVJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4S2/c1-3-21-14(18)12-8(2)7-11(22-12)17-23(19,20)13-9(15)5-4-6-10(13)16/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 361.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 8515185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).