N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide

C13H8F6N2O3S2 — CID 39121085

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H8F6N2O3S2/c14-12(15,16)7-2-8(13(17,18)19)4-9(3-7)21-11(22)6-1-10(25-5-6)26(20,23)24/h1-5H,(H,21,22)(H2,20,23,24)
InChIKeySUTIBRYXZHUJEK-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.69
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 39121085) has the molecular formula C13H8F6N2O3S2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID39121085
Molecular FormulaC13H8F6N2O3S2
Molecular Weight418.34 g/mol
Exact Mass417.99
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H8F6N2O3S2/c14-12(15,16)7-2-8(13(17,18)19)4-9(3-7)21-11(22)6-1-10(25-5-6)26(20,23)24/h1-5H,(H,21,22)(H2,20,23,24)
InChIKeySUTIBRYXZHUJEK-UHFFFAOYSA-N
XLogP3.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide (CID 39121085) is N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide is NS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is SUTIBRYXZHUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O3S2/c14-12(15,16)7-2-8(13(17,18)19)4-9(3-7)21-11(22)6-1-10(25-5-6)26(20,23)24/h1-5H,(H,21,22)(H2,20,23,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 39121085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).