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

C20H16FN3O3S — CID 20959960

IUPACN-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H16FN3O3S/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
InChIKeyLPBCQPDWVAZGDI-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.22
Rot. Bonds4

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

N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 20959960) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID20959960
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H16FN3O3S/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
InChIKeyLPBCQPDWVAZGDI-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 20959960) is N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=C(c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCc2ccccc21.
What is the InChIKey of N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is LPBCQPDWVAZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/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 N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 20959960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).