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

C22H20N2O3S — CID 66547072

IUPACN-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-20-12-10-18(11-13-20)17-8-6-16(7-9-17)15-23-28(25,26)22-14-19-4-2-3-5-21(19)24-22/h2-14,23-24H,15H2,1H3
InChIKeyBOGMYGBNBFCFBV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.32
Rot. Bonds6

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

N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66547072) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66547072
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-20-12-10-18(11-13-20)17-8-6-16(7-9-17)15-23-28(25,26)22-14-19-4-2-3-5-21(19)24-22/h2-14,23-24H,15H2,1H3
InChIKeyBOGMYGBNBFCFBV-UHFFFAOYSA-N
XLogP4.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide (CID 66547072) is N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide is COc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is BOGMYGBNBFCFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-20-12-10-18(11-13-20)17-8-6-16(7-9-17)15-23-28(25,26)22-14-19-4-2-3-5-21(19)24-22/h2-14,23-24H,15H2,1H3.
What are the key properties of N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide?
N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).