3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline

C18H16N2O4S2 — CID 142730592

IUPAC3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline
SMILESNc1cccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C18H16N2O4S2/c19-13-5-3-7-15(11-13)25(21,22)17-9-1-2-10-18(17)26(23,24)16-8-4-6-14(20)12-16/h1-12H,19-20H2
InChIKeyAFBHGRVCAUOCPU-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline

3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline (PubChem CID 142730592) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline
PubChem CID142730592
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline
SMILESNc1cccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C18H16N2O4S2/c19-13-5-3-7-15(11-13)25(21,22)17-9-1-2-10-18(17)26(23,24)16-8-4-6-14(20)12-16/h1-12H,19-20H2
InChIKeyAFBHGRVCAUOCPU-UHFFFAOYSA-N
XLogP2.52
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)sulfonylaniline
CID 125425326
4-(3-aminophenyl)sulfonylbenzene-1,2-diamine;trihydrochloride
CID 19389409
1,2-bis(benzenesulfonyl)benzene
CID 19980733
3-aminobenzenesulfonic acid;azane
CID 173113808
potassium 3-aminobenzenesulfonate
CID 23716245
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902
4-(3-aminophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 54172567
2-amino-5-(3-aminophenyl)sulfonylphenol
CID 23106831
3-aminophenol;benzenesulfonylbenzene
CID 68932329
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
3-(difluoromethylsulfonyl)aniline
CID 102538435
3-aminobenzenesulfonic acid;1-ethenylsulfonylethene
CID 87661965

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline?
The IUPAC name of 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline (CID 142730592) is 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline.
What is the SMILES notation for 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline?
The canonical SMILES for 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline is Nc1cccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline?
The InChIKey is AFBHGRVCAUOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c19-13-5-3-7-15(11-13)25(21,22)17-9-1-2-10-18(17)26(23,24)16-8-4-6-14(20)12-16/h1-12H,19-20H2.
What are the key properties of 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline?
3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline has a molecular weight of 388.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline is sourced from PubChem (CID 142730592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).