2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide

C16H12N2O5S — CID 156761983

IUPAC2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccc(O)c3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N2O5S/c17-24(22,23)16-13(6-3-7-14(16)18(20)21)11-8-9-15(19)12-5-2-1-4-10(11)12/h1-9,19H,(H2,17,22,23)
InChIKeyZDQWSMMDGFZPKC-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide

2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide (PubChem CID 156761983) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide
PubChem CID156761983
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccc(O)c3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N2O5S/c17-24(22,23)16-13(6-3-7-14(16)18(20)21)11-8-9-15(19)12-5-2-1-4-10(11)12/h1-9,19H,(H2,17,22,23)
InChIKeyZDQWSMMDGFZPKC-UHFFFAOYSA-N
XLogP2.77
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-4-nitrobenzenesulfonamide
CID 25073558
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-3-nitrobenzenesulfonamide
CID 25074166
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-2-nitrobenzenesulfonamide
CID 57388027
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-2,4-dinitrobenzenesulfonamide
CID 57388028
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 137227565
N-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]-2-nitrobenzenesulfonamide
CID 44579283
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3-nitrobenzenesulfonamide
CID 2888154
Benzenesulfonyl fluoride, 2-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-5-nitro-
CID 136661093
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide
CID 25073859
[[2,2,2-Trifluoro-1-(4-hydroxynaphthalen-1-yl)ethylidene]amino] 2-nitrobenzenesulfonate
CID 143598272
Benzenesulfonamide, N-(4-hydroxy-1-naphthalenyl)-3-nitro-
CID 2862809
4-fluoro-N-(4-hydroxynaphthalen-1-yl)-3-nitrobenzenesulfonamide
CID 100820696

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide (CID 156761983) is 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide is NS(=O)(=O)c1c(-c2ccc(O)c3ccccc23)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide?
The InChIKey is ZDQWSMMDGFZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c17-24(22,23)16-13(6-3-7-14(16)18(20)21)11-8-9-15(19)12-5-2-1-4-10(11)12/h1-9,19H,(H2,17,22,23).
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide?
2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide has a molecular weight of 344.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)-6-nitrobenzenesulfonamide is sourced from PubChem (CID 156761983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).