N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide

C16H16N2O3S — CID 66547076

IUPACN-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-14-8-6-12(7-9-14)11-17-22(19,20)16-10-13-4-2-3-5-15(13)18-16/h2-10,17-18H,11H2,1H3
InChIKeyTZIAUDXRHGYCJU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide

N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 66547076) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID66547076
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O3S/c1-21-14-8-6-12(7-9-14)11-17-22(19,20)16-10-13-4-2-3-5-15(13)18-16/h2-10,17-18H,11H2,1H3
InChIKeyTZIAUDXRHGYCJU-UHFFFAOYSA-N
XLogP2.65
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (CID 66547076) is N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is TZIAUDXRHGYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-14-8-6-12(7-9-14)11-17-22(19,20)16-10-13-4-2-3-5-15(13)18-16/h2-10,17-18H,11H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).