N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide

C12H15N3O3S — CID 47343118

IUPACN-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H15N3O3S/c13-19(17,18)7-1-5-15-12(16)10-3-2-9-4-6-14-11(9)8-10/h2-4,6,8,14H,1,5,7H2,(H,15,16)(H2,13,17,18)
InChIKeyIZDFPEKCVNZYRK-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.58
Rot. Bonds5

About N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide

N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide (PubChem CID 47343118) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
PubChem CID47343118
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H15N3O3S/c13-19(17,18)7-1-5-15-12(16)10-3-2-9-4-6-14-11(9)8-10/h2-4,6,8,14H,1,5,7H2,(H,15,16)(H2,13,17,18)
InChIKeyIZDFPEKCVNZYRK-UHFFFAOYSA-N
XLogP0.58
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-(3-azidopropyl)-1H-indole-6-carboxamide
CID 63748447
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide (CID 47343118) is N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide is NS(=O)(=O)CCCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide?
The InChIKey is IZDFPEKCVNZYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-19(17,18)7-1-5-15-12(16)10-3-2-9-4-6-14-11(9)8-10/h2-4,6,8,14H,1,5,7H2,(H,15,16)(H2,13,17,18).
What are the key properties of N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide?
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 47343118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).