N-pentylsulfonyl-1H-indole-5-carboxamide

C14H18N2O3S — CID 141014776

IUPACN-pentylsulfonyl-1H-indole-5-carboxamide
SMILESCCCCCS(=O)(=O)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O3S/c1-2-3-4-9-20(18,19)16-14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyDXFUHOCMLDQBPH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.42
Rot. Bonds6

About N-pentylsulfonyl-1H-indole-5-carboxamide

N-pentylsulfonyl-1H-indole-5-carboxamide (PubChem CID 141014776) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-pentylsulfonyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pentylsulfonyl-1H-indole-5-carboxamide
PubChem CID141014776
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-pentylsulfonyl-1H-indole-5-carboxamide
SMILESCCCCCS(=O)(=O)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O3S/c1-2-3-4-9-20(18,19)16-14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyDXFUHOCMLDQBPH-UHFFFAOYSA-N
XLogP2.42
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
hexyl 1H-indole-5-carboxylate
CID 90708672
N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 141006982
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779

Frequently Asked Questions

What is the IUPAC name of N-pentylsulfonyl-1H-indole-5-carboxamide?
The IUPAC name of N-pentylsulfonyl-1H-indole-5-carboxamide (CID 141014776) is N-pentylsulfonyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-pentylsulfonyl-1H-indole-5-carboxamide?
The canonical SMILES for N-pentylsulfonyl-1H-indole-5-carboxamide is CCCCCS(=O)(=O)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-pentylsulfonyl-1H-indole-5-carboxamide?
The InChIKey is DXFUHOCMLDQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-3-4-9-20(18,19)16-14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,2-4,9H2,1H3,(H,16,17).
What are the key properties of N-pentylsulfonyl-1H-indole-5-carboxamide?
N-pentylsulfonyl-1H-indole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfonyl-1H-indole-5-carboxamide is sourced from PubChem (CID 141014776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).