4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide

C20H16ClN3O3S — CID 20910407

IUPAC4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H16ClN3O3S/c21-16-5-7-18(8-6-16)28(26,27)23-17-11-15(12-22-13-17)20(25)24-10-9-14-3-1-2-4-19(14)24/h1-8,11-13,23H,9-10H2
InChIKeyMYUAJDVAXNBENZ-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide

4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 20910407) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide
PubChem CID20910407
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESO=C(c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H16ClN3O3S/c21-16-5-7-18(8-6-16)28(26,27)23-17-11-15(12-22-13-17)20(25)24-10-9-14-3-1-2-4-19(14)24/h1-8,11-13,23H,9-10H2
InChIKeyMYUAJDVAXNBENZ-UHFFFAOYSA-N
XLogP3.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide (CID 20910407) is 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide is O=C(c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc21.
What is the InChIKey of 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is MYUAJDVAXNBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c21-16-5-7-18(8-6-16)28(26,27)23-17-11-15(12-22-13-17)20(25)24-10-9-14-3-1-2-4-19(14)24/h1-8,11-13,23H,9-10H2.
What are the key properties of 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 413.89 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 20910407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).