1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C16H17N3O3S — CID 3640433

IUPAC1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-12(20)19-8-6-14-9-15(4-5-16(14)19)23(21,22)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,18H,6,8,11H2,1H3
InChIKeyFHXYISFISPCCTL-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.47
Rot. Bonds4

About 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 3640433) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID3640433
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-12(20)19-8-6-14-9-15(4-5-16(14)19)23(21,22)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,18H,6,8,11H2,1H3
InChIKeyFHXYISFISPCCTL-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110714907
1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55906101
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 3640433) is 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FHXYISFISPCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12(20)19-8-6-14-9-15(4-5-16(14)19)23(21,22)18-11-13-3-2-7-17-10-13/h2-5,7,9-10,18H,6,8,11H2,1H3.
What are the key properties of 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3640433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).