5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

C20H17FN2O3S2 — CID 15997896

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C20H17FN2O3S2/c21-18-8-7-16(12-17(18)20(24)22-13-15-5-3-11-27-15)28(25,26)23-10-9-14-4-1-2-6-19(14)23/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyDYCOKVCQABFVBO-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.57
Rot. Bonds5

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 15997896) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID15997896
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C20H17FN2O3S2/c21-18-8-7-16(12-17(18)20(24)22-13-15-5-3-11-27-15)28(25,26)23-10-9-14-4-1-2-6-19(14)23/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyDYCOKVCQABFVBO-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 15997896) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DYCOKVCQABFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c21-18-8-7-16(12-17(18)20(24)22-13-15-5-3-11-27-15)28(25,26)23-10-9-14-4-1-2-6-19(14)23/h1-8,11-12H,9-10,13H2,(H,22,24).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 416.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 15997896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).