N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide

C17H21N3O2S — CID 113031821

IUPACN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-2-3-12-23(21,22)19-17-9-8-15(13-18-17)20-11-10-14-6-4-5-7-16(14)20/h4-9,13H,2-3,10-12H2,1H3,(H,18,19)
InChIKeyNYCDZQZOKCFHTN-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.32
Rot. Bonds6

About N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide

N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide (PubChem CID 113031821) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide
PubChem CID113031821
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-2-3-12-23(21,22)19-17-9-8-15(13-18-17)20-11-10-14-6-4-5-7-16(14)20/h4-9,13H,2-3,10-12H2,1H3,(H,18,19)
InChIKeyNYCDZQZOKCFHTN-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113031845
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113031800
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113031771
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]furan-2-carboxamide
CID 113031763
N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
CID 112986280
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
5-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109197830
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide (CID 113031821) is N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(N2CCc3ccccc32)cn1.
What is the InChIKey of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide?
The InChIKey is NYCDZQZOKCFHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-3-12-23(21,22)19-17-9-8-15(13-18-17)20-11-10-14-6-4-5-7-16(14)20/h4-9,13H,2-3,10-12H2,1H3,(H,18,19).
What are the key properties of N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide?
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113031821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).