2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline

C19H16F3N3O4S2 — CID 165351769

IUPAC2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
SMILESNc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(N)cc3)c(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C19H16F3N3O4S2/c20-19(21,22)15-9-16(25)18(31(28,29)14-7-3-12(24)4-8-14)10-17(15)30(26,27)13-5-1-11(23)2-6-13/h1-10H,23-25H2
InChIKeyLIIAZMBQUGRJPX-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.12
Rot. Bonds4

About 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline

2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline (PubChem CID 165351769) has the molecular formula C19H16F3N3O4S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
PubChem CID165351769
Molecular FormulaC19H16F3N3O4S2
Molecular Weight471.48 g/mol
Exact Mass471.05
IUPAC Name2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline
SMILESNc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(N)cc3)c(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C19H16F3N3O4S2/c20-19(21,22)15-9-16(25)18(31(28,29)14-7-3-12(24)4-8-14)10-17(15)30(26,27)13-5-1-11(23)2-6-13/h1-10H,23-25H2
InChIKeyLIIAZMBQUGRJPX-UHFFFAOYSA-N
XLogP3.12
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline (CID 165351769) is 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline is Nc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(N)cc3)c(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline?
The InChIKey is LIIAZMBQUGRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S2/c20-19(21,22)15-9-16(25)18(31(28,29)14-7-3-12(24)4-8-14)10-17(15)30(26,27)13-5-1-11(23)2-6-13/h1-10H,23-25H2.
What are the key properties of 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline?
2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline has a molecular weight of 471.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-aminophenyl)sulfonyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 165351769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).