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

C17H18N2O4S — CID 66547077

IUPAC5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3cc(OC)ccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O4S/c1-22-14-5-3-12(4-6-14)11-18-24(20,21)17-10-13-9-15(23-2)7-8-16(13)19-17/h3-10,18-19H,11H2,1-2H3
InChIKeyZYAIUNMZKGHCRV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.66
Rot. Bonds6

About 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide

5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 66547077) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID66547077
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc3cc(OC)ccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O4S/c1-22-14-5-3-12(4-6-14)11-18-24(20,21)17-10-13-9-15(23-2)7-8-16(13)19-17/h3-10,18-19H,11H2,1-2H3
InChIKeyZYAIUNMZKGHCRV-UHFFFAOYSA-N
XLogP2.66
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide (CID 66547077) is 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc3cc(OC)ccc3[nH]2)cc1.
What is the InChIKey of 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is ZYAIUNMZKGHCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-14-5-3-12(4-6-14)11-18-24(20,21)17-10-13-9-15(23-2)7-8-16(13)19-17/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide?
5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).