5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide

C18H17N3O6S2 — CID 134186094

IUPAC5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide
SMILESNc1ccc(O)c(S(=O)(=O)Nc2cc(N)cc(S(=O)(=O)c3ccccc3)c2O)c1
InChIInChI=1S/C18H17N3O6S2/c19-11-6-7-15(22)16(9-11)29(26,27)21-14-8-12(20)10-17(18(14)23)28(24,25)13-4-2-1-3-5-13/h1-10,21-23H,19-20H2
InChIKeyBSVFESYHSCIQQJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide

5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide (PubChem CID 134186094) has the molecular formula C18H17N3O6S2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide
PubChem CID134186094
Molecular FormulaC18H17N3O6S2
Molecular Weight435.48 g/mol
Exact Mass435.06
IUPAC Name5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide
SMILESNc1ccc(O)c(S(=O)(=O)Nc2cc(N)cc(S(=O)(=O)c3ccccc3)c2O)c1
InChIInChI=1S/C18H17N3O6S2/c19-11-6-7-15(22)16(9-11)29(26,27)21-14-8-12(20)10-17(18(14)23)28(24,25)13-4-2-1-3-5-13/h1-10,21-23H,19-20H2
InChIKeyBSVFESYHSCIQQJ-UHFFFAOYSA-N
XLogP1.90
TPSA172.81 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide (CID 134186094) is 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide is Nc1ccc(O)c(S(=O)(=O)Nc2cc(N)cc(S(=O)(=O)c3ccccc3)c2O)c1.
What is the InChIKey of 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide?
The InChIKey is BSVFESYHSCIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S2/c19-11-6-7-15(22)16(9-11)29(26,27)21-14-8-12(20)10-17(18(14)23)28(24,25)13-4-2-1-3-5-13/h1-10,21-23H,19-20H2.
What are the key properties of 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide?
5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide has a molecular weight of 435.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-amino-3-(benzenesulfonyl)-2-hydroxyphenyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 134186094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).