6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid

C17H14N2O5S — CID 23348211

IUPAC6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)c1
InChIInChI=1S/C17H14N2O5S/c18-12-3-1-2-11(8-12)17(21)19-13-5-6-14-10(9-13)4-7-15(16(14)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyYGAOJZDLOYTXHC-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.63
Rot. Bonds3

About 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid

6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid (PubChem CID 23348211) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
PubChem CID23348211
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
SMILESNc1cccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)c1
InChIInChI=1S/C17H14N2O5S/c18-12-3-1-2-11(8-12)17(21)19-13-5-6-14-10(9-13)4-7-15(16(14)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKeyYGAOJZDLOYTXHC-UHFFFAOYSA-N
XLogP2.63
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid
CID 23348118
1-[(3-aminobenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 23348086
5-[(3-aminobenzoyl)amino]-2-hydroxy-3-sulfobenzoic acid
CID 53424613
4-[(3-aminobenzoyl)amino]-7-hydroxynaphthalene-2-sulfonic acid
CID 23348088
7-[[3-[[3-[[3-[[3-[(6,8-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3-disulfonic acid
CID 11788083
5-hydroxy-6-[[3-[[3-[(1-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 20564527
8-[(3-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
CID 23348122
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 3018000
8-[[6-[(3-aminobenzoyl)amino]-2-methylquinolin-4-yl]amino]naphthalene-1,3,6-trisulfonic acid
CID 121464459
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
6-[[3-[[3-[[5-sulfo-7-(trihydroxy-λ4-sulfanyl)naphthalen-2-yl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3-disulfonic acid
CID 59085170
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid (CID 23348211) is 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid is Nc1cccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)c1.
What is the InChIKey of 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is YGAOJZDLOYTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c18-12-3-1-2-11(8-12)17(21)19-13-5-6-14-10(9-13)4-7-15(16(14)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24).
What are the key properties of 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid?
6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 358.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminobenzoyl)amino]-1-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 23348211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).