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

C19H16N2O2S2 — CID 66546713

IUPACN-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2S2/c22-25(23,19-11-16-3-1-2-4-18(16)21-19)20-12-14-5-7-15(8-6-14)17-9-10-24-13-17/h1-11,13,20-21H,12H2
InChIKeyJNOPDPZQTBHQID-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.37
Rot. Bonds5

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

N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 66546713) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID66546713
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2S2/c22-25(23,19-11-16-3-1-2-4-18(16)21-19)20-12-14-5-7-15(8-6-14)17-9-10-24-13-17/h1-11,13,20-21H,12H2
InChIKeyJNOPDPZQTBHQID-UHFFFAOYSA-N
XLogP4.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide (CID 66546713) is N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is JNOPDPZQTBHQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c22-25(23,19-11-16-3-1-2-4-18(16)21-19)20-12-14-5-7-15(8-6-14)17-9-10-24-13-17/h1-11,13,20-21H,12H2.
What are the key properties of N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide?
N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 368.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).