4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid

C19H18N2O5S — CID 175386135

IUPAC4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S.C7H6O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;8-6-3-1-5(2-4-6)7(9)10/h1-8H,13-14H2;1-4,8H,(H,9,10)
InChIKeyIYPBAZXSAKKFHD-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.77
Rot. Bonds3

About 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid

4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid (PubChem CID 175386135) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid
PubChem CID175386135
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S.C7H6O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;8-6-3-1-5(2-4-6)7(9)10/h1-8H,13-14H2;1-4,8H,(H,9,10)
InChIKeyIYPBAZXSAKKFHD-UHFFFAOYSA-N
XLogP2.77
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
CID 67782249
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
4-(4-carboxyphenyl)sulfonylbenzoic acid;guanidine
CID 67856213
4-aminobenzoic acid;hydrofluoride
CID 159690577
4-hydroxy(11C)benzoic acid
CID 11275035
CID 70636806
CID 70636806
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
bis(4-aminobenzoic acid);ethene
CID 158776608
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid?
The IUPAC name of 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid (CID 175386135) is 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid?
The canonical SMILES for 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid is Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid?
The InChIKey is IYPBAZXSAKKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.C7H6O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;8-6-3-1-5(2-4-6)7(9)10/h1-8H,13-14H2;1-4,8H,(H,9,10).
What are the key properties of 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid?
4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid has a molecular weight of 386.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid is sourced from PubChem (CID 175386135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).