N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

C19H20N2O3S — CID 86628684

IUPACN-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C=O)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H20N2O3S/c1-13(2)21-11-18(15-6-4-14(12-22)5-7-15)17-9-8-16(10-19(17)21)20-25(3,23)24/h4-13,20H,1-3H3
InChIKeyVWQFVLGTXVVQPC-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 86628684) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID86628684
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C=O)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H20N2O3S/c1-13(2)21-11-18(15-6-4-14(12-22)5-7-15)17-9-8-16(10-19(17)21)20-25(3,23)24/h4-13,20H,1-3H3
InChIKeyVWQFVLGTXVVQPC-UHFFFAOYSA-N
XLogP4.07
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 86628684) is N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2ccc(C=O)cc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is VWQFVLGTXVVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(2)21-11-18(15-6-4-14(12-22)5-7-15)17-9-8-16(10-19(17)21)20-25(3,23)24/h4-13,20H,1-3H3.
What are the key properties of N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 86628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).