N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide

C17H18N4O3S — CID 87339636

IUPACN-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide
SMILESNS(=O)(=O)c1cccc(CCNc2c(NC=O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H18N4O3S/c18-25(23,24)13-5-3-4-12(10-13)8-9-19-16-14-6-1-2-7-15(14)21-17(16)20-11-22/h1-7,10-11,19,21H,8-9H2,(H,20,22)(H2,18,23,24)
InChIKeyVLCAIZYZPJZSHG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.04
Rot. Bonds7

About N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide

N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide (PubChem CID 87339636) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide.

Molecular Properties

Compound NameN-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide
PubChem CID87339636
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide
SMILESNS(=O)(=O)c1cccc(CCNc2c(NC=O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H18N4O3S/c18-25(23,24)13-5-3-4-12(10-13)8-9-19-16-14-6-1-2-7-15(14)21-17(16)20-11-22/h1-7,10-11,19,21H,8-9H2,(H,20,22)(H2,18,23,24)
InChIKeyVLCAIZYZPJZSHG-UHFFFAOYSA-N
XLogP2.04
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide?
The IUPAC name of N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide (CID 87339636) is N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide.
What is the SMILES notation for N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide?
The canonical SMILES for N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide is NS(=O)(=O)c1cccc(CCNc2c(NC=O)[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide?
The InChIKey is VLCAIZYZPJZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-25(23,24)13-5-3-4-12(10-13)8-9-19-16-14-6-1-2-7-15(14)21-17(16)20-11-22/h1-7,10-11,19,21H,8-9H2,(H,20,22)(H2,18,23,24).
What are the key properties of N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide?
N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide has a molecular weight of 358.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-sulfamoylphenyl)ethylamino]-1H-indol-2-yl]formamide is sourced from PubChem (CID 87339636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).