N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide

C21H20N2O2S — CID 123705159

IUPACN-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C2=CCCC=C2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H20N2O2S/c24-26(25,21-14-19-8-4-5-9-20(19)23-21)22-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h2,4-14,22-23H,1,3,15H2
InChIKeyTYWUZEOEHDDCSV-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.38
Rot. Bonds5

About N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide

N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 123705159) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID123705159
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C2=CCCC=C2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H20N2O2S/c24-26(25,21-14-19-8-4-5-9-20(19)23-21)22-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h2,4-14,22-23H,1,3,15H2
InChIKeyTYWUZEOEHDDCSV-UHFFFAOYSA-N
XLogP4.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547075
5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547074
N-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-indole-2-sulfonamide
CID 163568065
2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
5-chloro-N-[[4-(2,4-difluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66546526
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
5-chloro-N-[[4-(4-fluorophenyl)-3-methylphenyl]methyl]-1H-indole-2-sulfonamide
CID 155510384
N-(4-cyclohexa-1,5-dien-1-ylphenyl)methanesulfonamide
CID 129312965
5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
CID 67556659

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide (CID 123705159) is N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(C2=CCCC=C2)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is TYWUZEOEHDDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-26(25,21-14-19-8-4-5-9-20(19)23-21)22-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h2,4-14,22-23H,1,3,15H2.
What are the key properties of N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide?
N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexa-1,5-dien-1-ylphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 123705159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).