N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide

C18H22N2O2S — CID 110661363

IUPACN-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCCCCc1cccnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O2S/c21-23(22,18-10-9-16-7-3-8-17(16)13-18)20-12-2-1-5-15-6-4-11-19-14-15/h4,6,9-11,13-14,20H,1-3,5,7-8,12H2
InChIKeyCAVUESPEBQQGGB-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.87
Rot. Bonds7

About N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110661363) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110661363
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCCCCc1cccnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O2S/c21-23(22,18-10-9-16-7-3-8-17(16)13-18)20-12-2-1-5-15-6-4-11-19-14-15/h4,6,9-11,13-14,20H,1-3,5,7-8,12H2
InChIKeyCAVUESPEBQQGGB-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110616042
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 110661363) is N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCCCCc1cccnc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is CAVUESPEBQQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,18-10-9-16-7-3-8-17(16)13-18)20-12-2-1-5-15-6-4-11-19-14-15/h4,6,9-11,13-14,20H,1-3,5,7-8,12H2.
What are the key properties of N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110661363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).