2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide

C17H24N2O3S — CID 4258004

IUPAC2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1
InChIInChI=1S/C17H24N2O3S/c1-6-19(7-2)23(21,22)12-8-9-15-13(10-12)14(11-20)16(18-15)17(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeyWULMSRIKMHTNPQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.31
Rot. Bonds5

About 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide

2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide (PubChem CID 4258004) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
PubChem CID4258004
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1
InChIInChI=1S/C17H24N2O3S/c1-6-19(7-2)23(21,22)12-8-9-15-13(10-12)14(11-20)16(18-15)17(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeyWULMSRIKMHTNPQ-UHFFFAOYSA-N
XLogP3.31
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3802955
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
N-tert-butyl-2-[[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 23854335
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134021
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The IUPAC name of 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide (CID 4258004) is 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1.
What is the InChIKey of 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The InChIKey is WULMSRIKMHTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-6-19(7-2)23(21,22)12-8-9-15-13(10-12)14(11-20)16(18-15)17(3,4)5/h8-11,18H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 4258004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).