5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C14H13BrN2O3S2 — CID 156601347

IUPAC5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C14H13BrN2O3S2/c15-12-5-6-14(21-12)22(19,20)16-9-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-6,16H,7-9H2
InChIKeyOWTHGBTYBTYARA-UHFFFAOYSA-N
MW401.31 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 156601347) has the molecular formula C14H13BrN2O3S2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID156601347
Molecular FormulaC14H13BrN2O3S2
Molecular Weight401.31 g/mol
Exact Mass399.96
IUPAC Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C14H13BrN2O3S2/c15-12-5-6-14(21-12)22(19,20)16-9-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-6,16H,7-9H2
InChIKeyOWTHGBTYBTYARA-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 156601347) is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is OWTHGBTYBTYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S2/c15-12-5-6-14(21-12)22(19,20)16-9-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-6,16H,7-9H2.
What are the key properties of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 401.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 156601347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).