N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide

C17H18N2O3S — CID 66547412

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-15-5-3-4-6-16(15)19-17(12)23(20,21)18-11-13-7-9-14(22-2)10-8-13/h3-10,18-19H,11H2,1-2H3
InChIKeyURNBCNKNSWUCCD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide

N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide (PubChem CID 66547412) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide
PubChem CID66547412
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-15-5-3-4-6-16(15)19-17(12)23(20,21)18-11-13-7-9-14(22-2)10-8-13/h3-10,18-19H,11H2,1-2H3
InChIKeyURNBCNKNSWUCCD-UHFFFAOYSA-N
XLogP2.96
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.96
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]-3-methyl-1H-indole-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide (CID 66547412) is N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2[nH]c3ccccc3c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide?
The InChIKey is URNBCNKNSWUCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-15-5-3-4-6-16(15)19-17(12)23(20,21)18-11-13-7-9-14(22-2)10-8-13/h3-10,18-19H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.96, 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]-3-methyl-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).