5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

C13H13BrN2O3S2 — CID 1245237

IUPAC5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2O3S2/c14-12-6-5-11(20-12)13(17)16-8-7-9-1-3-10(4-2-9)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyPWLILFBITMXNKE-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.13
Rot. Bonds5

About 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 1245237) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID1245237
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2O3S2/c14-12-6-5-11(20-12)13(17)16-8-7-9-1-3-10(4-2-9)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyPWLILFBITMXNKE-UHFFFAOYSA-N
XLogP2.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 1245237) is 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is PWLILFBITMXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c14-12-6-5-11(20-12)13(17)16-8-7-9-1-3-10(4-2-9)21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1245237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).