4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide

C15H14N2O7S — CID 119034124

IUPAC4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)ccc1O
InChIInChI=1S/C15H14N2O7S/c18-13-6-7-24-15-10(13)2-1-3-11(15)16-25(22,23)9-4-5-14(19)12(8-9)17(20)21/h1-5,8,13,16,18-19H,6-7H2
InChIKeyITHFMIHWZMFDJA-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.92
Rot. Bonds4

About 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide

4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide (PubChem CID 119034124) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide
PubChem CID119034124
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Name4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)ccc1O
InChIInChI=1S/C15H14N2O7S/c18-13-6-7-24-15-10(13)2-1-3-11(15)16-25(22,23)9-4-5-14(19)12(8-9)17(20)21/h1-5,8,13,16,18-19H,6-7H2
InChIKeyITHFMIHWZMFDJA-UHFFFAOYSA-N
XLogP1.92
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
CID 119034125
N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
CID 126805654
4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide
CID 63279541
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
N-(4-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide (CID 119034124) is 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)ccc1O.
What is the InChIKey of 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide?
The InChIKey is ITHFMIHWZMFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c18-13-6-7-24-15-10(13)2-1-3-11(15)16-25(22,23)9-4-5-14(19)12(8-9)17(20)21/h1-5,8,13,16,18-19H,6-7H2.
What are the key properties of 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide?
4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide has a molecular weight of 366.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 119034124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).