N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C18H22N4O3S — CID 113009560

IUPACN-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1
InChIInChI=1S/C18H22N4O3S/c1-3-4-9-19-17-8-5-14(12-20-17)21-26(24,25)15-6-7-16-13(10-15)11-18(23)22(16)2/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyRLGWNVCFHKPYPT-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.61
Rot. Bonds7

About N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113009560) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID113009560
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1
InChIInChI=1S/C18H22N4O3S/c1-3-4-9-19-17-8-5-14(12-20-17)21-26(24,25)15-6-7-16-13(10-15)11-18(23)22(16)2/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyRLGWNVCFHKPYPT-UHFFFAOYSA-N
XLogP2.61
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
CID 113044741
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113044066

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 113009560) is N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is RLGWNVCFHKPYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-4-9-19-17-8-5-14(12-20-17)21-26(24,25)15-6-7-16-13(10-15)11-18(23)22(16)2/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).