5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide

C12H17N3O3S — CID 64852259

IUPAC5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-2-18-6-5-15-19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14-15H,2,5-6,13H2,1H3
InChIKeyCOGWQDYJTAJNLV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.06
Rot. Bonds6

About 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide

5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide (PubChem CID 64852259) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
PubChem CID64852259
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3O3S/c1-2-18-6-5-15-19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14-15H,2,5-6,13H2,1H3
InChIKeyCOGWQDYJTAJNLV-UHFFFAOYSA-N
XLogP1.06
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
5-amino-N-(1-methoxybutan-2-yl)-1H-indole-3-sulfonamide
CID 64853052
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide (CID 64852259) is 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide is CCOCCNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide?
The InChIKey is COGWQDYJTAJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-18-6-5-15-19(16,17)12-8-14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14-15H,2,5-6,13H2,1H3.
What are the key properties of 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide?
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64852259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).