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

C15H20N2O3S — CID 3802955

IUPAC2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)14-12(9-18)11-8-10(6-7-13(11)16-14)21(19,20)17(4)5/h6-9,16H,1-5H3
InChIKeyGNZRABHTGWGYTF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.53
Rot. Bonds3

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

2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide (PubChem CID 3802955) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
PubChem CID3802955
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)14-12(9-18)11-8-10(6-7-13(11)16-14)21(19,20)17(4)5/h6-9,16H,1-5H3
InChIKeyGNZRABHTGWGYTF-UHFFFAOYSA-N
XLogP2.53
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.53
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-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 4258004
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
CID 3830629
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
3-formyl-N,N,4-trimethylbenzenesulfonamide
CID 105484638
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
2-amino-N,N-dimethyl-1H-indole-6-sulfonamide
CID 90823817
4-amino-3-tert-butylsulfanyl-N,N-dimethylbenzenesulfonamide
CID 82900902
2-tert-butyl-7-chloro-1H-indole-3-carbaldehyde
CID 3796978
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The IUPAC name of 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide (CID 3802955) is 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1.
What is the InChIKey of 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The InChIKey is GNZRABHTGWGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2,3)14-12(9-18)11-8-10(6-7-13(11)16-14)21(19,20)17(4)5/h6-9,16H,1-5H3.
What are the key properties of 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 3802955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).