5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide

C16H19N3O3S — CID 138994394

IUPAC5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCCc1cccc2c1N(C(=O)c1cc(S(N)(=O)=O)cn1C)CC2
InChIInChI=1S/C16H19N3O3S/c1-3-11-5-4-6-12-7-8-19(15(11)12)16(20)14-9-13(10-18(14)2)23(17,21)22/h4-6,9-10H,3,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyUWUVTAKMVMVIIC-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.44
Rot. Bonds3

About 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide

5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 138994394) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide
PubChem CID138994394
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCCc1cccc2c1N(C(=O)c1cc(S(N)(=O)=O)cn1C)CC2
InChIInChI=1S/C16H19N3O3S/c1-3-11-5-4-6-12-7-8-19(15(11)12)16(20)14-9-13(10-18(14)2)23(17,21)22/h4-6,9-10H,3,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyUWUVTAKMVMVIIC-UHFFFAOYSA-N
XLogP1.44
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide (CID 138994394) is 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide is CCc1cccc2c1N(C(=O)c1cc(S(N)(=O)=O)cn1C)CC2.
What is the InChIKey of 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is UWUVTAKMVMVIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-11-5-4-6-12-7-8-19(15(11)12)16(20)14-9-13(10-18(14)2)23(17,21)22/h4-6,9-10H,3,7-8H2,1-2H3,(H2,17,21,22).
What are the key properties of 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide?
5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 138994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).