3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C17H14N4O3S2 — CID 1235837

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H14N4O3S2/c22-16(19-17-20-18-11-25-17)13-5-3-6-14(10-13)26(23,24)21-9-8-12-4-1-2-7-15(12)21/h1-7,10-11H,8-9H2,(H,19,20,22)
InChIKeyFITJIWGBXPINGH-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.54
Rot. Bonds4

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1235837) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1235837
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H14N4O3S2/c22-16(19-17-20-18-11-25-17)13-5-3-6-14(10-13)26(23,24)21-9-8-12-4-1-2-7-15(12)21/h1-7,10-11H,8-9H2,(H,19,20,22)
InChIKeyFITJIWGBXPINGH-UHFFFAOYSA-N
XLogP2.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1235837) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FITJIWGBXPINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c22-16(19-17-20-18-11-25-17)13-5-3-6-14(10-13)26(23,24)21-9-8-12-4-1-2-7-15(12)21/h1-7,10-11H,8-9H2,(H,19,20,22).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 386.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1235837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).