3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide

C17H17N3O3S — CID 26580490

IUPAC3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O3S/c18-24(22,23)14-5-3-4-13(10-14)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)(H2,18,22,23)
InChIKeyAJBHDQASYKWSCR-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.39
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide

3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 26580490) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID26580490
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O3S/c18-24(22,23)14-5-3-4-13(10-14)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)(H2,18,22,23)
InChIKeyAJBHDQASYKWSCR-UHFFFAOYSA-N
XLogP2.39
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 4964161
3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
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3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
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N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
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N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
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CID 78915659

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide (CID 26580490) is 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is AJBHDQASYKWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-24(22,23)14-5-3-4-13(10-14)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)(H2,18,22,23).
What are the key properties of 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide?
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 26580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).