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

C14H21N3O3S — CID 64850898

IUPAC5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H21N3O3S/c1-2-3-6-17(7-8-18)21(19,20)14-10-16-13-5-4-11(15)9-12(13)14/h4-5,9-10,16,18H,2-3,6-8,15H2,1H3
InChIKeyLVNGMIJXFUMMFB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.53
Rot. Bonds7

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

5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide (PubChem CID 64850898) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
PubChem CID64850898
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H21N3O3S/c1-2-3-6-17(7-8-18)21(19,20)14-10-16-13-5-4-11(15)9-12(13)14/h4-5,9-10,16,18H,2-3,6-8,15H2,1H3
InChIKeyLVNGMIJXFUMMFB-UHFFFAOYSA-N
XLogP1.53
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide (CID 64850898) is 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide is CCCCN(CCO)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide?
The InChIKey is LVNGMIJXFUMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-3-6-17(7-8-18)21(19,20)14-10-16-13-5-4-11(15)9-12(13)14/h4-5,9-10,16,18H,2-3,6-8,15H2,1H3.
What are the key properties of 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide?
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64850898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).