2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid

C17H14N2O5S — CID 154123187

IUPAC2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid
SMILESO=C(Nc1c(NO)cc2ccccc2c1S(=O)(=O)O)c1ccccc1
InChIInChI=1S/C17H14N2O5S/c20-17(11-6-2-1-3-7-11)18-15-14(19-21)10-12-8-4-5-9-13(12)16(15)25(22,23)24/h1-10,19,21H,(H,18,20)(H,22,23,24)
InChIKeyPWAJICJWBPXJMQ-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.14
Rot. Bonds4

About 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid

2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid (PubChem CID 154123187) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid
PubChem CID154123187
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid
SMILESO=C(Nc1c(NO)cc2ccccc2c1S(=O)(=O)O)c1ccccc1
InChIInChI=1S/C17H14N2O5S/c20-17(11-6-2-1-3-7-11)18-15-14(19-21)10-12-8-4-5-9-13(12)16(15)25(22,23)24/h1-10,19,21H,(H,18,20)(H,22,23,24)
InChIKeyPWAJICJWBPXJMQ-UHFFFAOYSA-N
XLogP3.14
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzamidoanthracen-2-yl)benzamide
CID 87154988
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
N-acridin-9-ylbenzamide
CID 40532924
4-hydroxy-3-[[3-[[2-[3-[(1-hydroxy-3-sulfonaphthalen-2-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 23312848
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-(phenanthren-9-ylcarbamothioyl)benzamide
CID 1479750
2,3-dianilinonaphthalene-1-sulfonate
CID 22506510
sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride
CID 174665059
acridine-1,2-disulfonic acid
CID 151823397
2-(2,2-dimethylbutanoylamino)naphthalene-1-sulfonic acid
CID 59749911
N-(10-methylsulfanylphenanthren-1-yl)benzamide
CID 162399879

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid?
The IUPAC name of 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid (CID 154123187) is 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid.
What is the SMILES notation for 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid?
The canonical SMILES for 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid is O=C(Nc1c(NO)cc2ccccc2c1S(=O)(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid?
The InChIKey is PWAJICJWBPXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-17(11-6-2-1-3-7-11)18-15-14(19-21)10-12-8-4-5-9-13(12)16(15)25(22,23)24/h1-10,19,21H,(H,18,20)(H,22,23,24).
What are the key properties of 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid?
2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid has a molecular weight of 358.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid is sourced from PubChem (CID 154123187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).