N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide

C13H17N3O3S — CID 103706674

IUPACN-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C13H17N3O3S/c1-20(18,19)16-8-3-7-15-13(17)11-5-2-4-10-6-9-14-12(10)11/h2,4-6,9,14,16H,3,7-8H2,1H3,(H,15,17)
InChIKeyCKBUWKDWQHIAEX-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.84
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide

N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide (PubChem CID 103706674) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
PubChem CID103706674
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C13H17N3O3S/c1-20(18,19)16-8-3-7-15-13(17)11-5-2-4-10-6-9-14-12(10)11/h2,4-6,9,14,16H,3,7-8H2,1H3,(H,15,17)
InChIKeyCKBUWKDWQHIAEX-UHFFFAOYSA-N
XLogP0.84
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.84
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-(3-cyclopentylpropyl)-1H-indole-7-carboxamide
CID 103706667
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
CID 71917211
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide (CID 103706674) is N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide?
The InChIKey is CKBUWKDWQHIAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-20(18,19)16-8-3-7-15-13(17)11-5-2-4-10-6-9-14-12(10)11/h2,4-6,9,14,16H,3,7-8H2,1H3,(H,15,17).
What are the key properties of N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide?
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 103706674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).