4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide

C23H19NO2S — CID 22107208

IUPAC4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
SMILESCc1cccc(-c2c3cccccc-3cc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C23H19NO2S/c1-16-6-5-8-19(14-16)23-21-9-4-2-3-7-18(21)15-22(23)17-10-12-20(13-11-17)27(24,25)26/h2-15H,1H3,(H2,24,25,26)
InChIKeyFZEVGWFZDCJNCH-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.08
Rot. Bonds3

About 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide

4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide (PubChem CID 22107208) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
PubChem CID22107208
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
SMILESCc1cccc(-c2c3cccccc-3cc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C23H19NO2S/c1-16-6-5-8-19(14-16)23-21-9-4-2-3-7-18(21)15-22(23)17-10-12-20(13-11-17)27(24,25)26/h2-15H,1H3,(H2,24,25,26)
InChIKeyFZEVGWFZDCJNCH-UHFFFAOYSA-N
XLogP5.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-[3-(3-methylphenyl)-4-oxochromen-2-yl]benzenesulfonamide
CID 18324999
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
4-(2-aminophenyl)benzenesulfonamide
CID 18545753
methane;1-(3-methylphenyl)-2,3,4,5-tetraphenylbenzene
CID 142335654
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23451076
3-methylbenzenesulfonamide
CID 69347063
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide (CID 22107208) is 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide is Cc1cccc(-c2c3cccccc-3cc2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide?
The InChIKey is FZEVGWFZDCJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-16-6-5-8-19(14-16)23-21-9-4-2-3-7-18(21)15-22(23)17-10-12-20(13-11-17)27(24,25)26/h2-15H,1H3,(H2,24,25,26).
What are the key properties of 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide?
4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide is sourced from PubChem (CID 22107208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).