5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid

C11H10N2O5S — CID 18965669

IUPAC5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
SMILESNC(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C11H10N2O5S/c12-11(15)13-8-3-1-2-6-4-7(19(16,17)18)5-9(14)10(6)8/h1-5,14H,(H3,12,13,15)(H,16,17,18)
InChIKeyHJHHZBFLRLGTRM-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.28
Rot. Bonds2

About 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid

5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid (PubChem CID 18965669) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
PubChem CID18965669
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid
SMILESNC(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C11H10N2O5S/c12-11(15)13-8-3-1-2-6-4-7(19(16,17)18)5-9(14)10(6)8/h1-5,14H,(H3,12,13,15)(H,16,17,18)
InChIKeyHJHHZBFLRLGTRM-UHFFFAOYSA-N
XLogP1.28
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 23348123
4-hydroxy-5-[[4-[4-[(8-hydroxynaphthalen-1-yl)carbamoyl]phenyl]benzoyl]amino]naphthalene-2-sulfonic acid
CID 170524161
4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
CID 71330282
5-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57187345
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 129188390
4-hydroxy-5-[(2-hydroxybenzoyl)amino]naphthalene-2,7-disulfonic acid
CID 102295742
Chromotropic acid sodium salt
CID 88518702
4-hydroxy-5-[[3-[[3-[[3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-2,7-disulfonic acid
CID 89248693
4-hydroxy-5-[[3-[[3-[[3-[[3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-2,7-disulfonic acid
CID 89248690
5-(butylsulfamoyl)-4-hydroxynaphthalene-2-sulfonic acid
CID 54193730
CID 87246277
CID 87246277
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid (CID 18965669) is 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid is NC(=O)Nc1cccc2cc(S(=O)(=O)O)cc(O)c12.
What is the InChIKey of 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is HJHHZBFLRLGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c12-11(15)13-8-3-1-2-6-4-7(19(16,17)18)5-9(14)10(6)8/h1-5,14H,(H3,12,13,15)(H,16,17,18).
What are the key properties of 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid?
5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 282.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 18965669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).