2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide

C16H17N3O6S — CID 22095828

IUPAC2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)N(C)C)c1O
InChIInChI=1S/C16H17N3O6S/c1-10-8-11(9-12(15(10)20)16(21)18(2)3)17-26(24,25)14-7-5-4-6-13(14)19(22)23/h4-9,17,20H,1-3H3
InChIKeyHXFLUNAXPRFFNQ-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.11
Rot. Bonds5

About 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide

2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide (PubChem CID 22095828) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide
PubChem CID22095828
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)N(C)C)c1O
InChIInChI=1S/C16H17N3O6S/c1-10-8-11(9-12(15(10)20)16(21)18(2)3)17-26(24,25)14-7-5-4-6-13(14)19(22)23/h4-9,17,20H,1-3H3
InChIKeyHXFLUNAXPRFFNQ-UHFFFAOYSA-N
XLogP2.11
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-hydroxy-3-methyl-5-(4-methylphenyl)sulfonylphenyl]-2-nitrobenzenesulfonamide
CID 5268872
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
methyl 3-methyl-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 52700388
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 1009772
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
N-(6-acetylnaphthalen-2-yl)-2-nitrobenzenesulfonamide
CID 53468341

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide (CID 22095828) is 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide is Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)N(C)C)c1O.
What is the InChIKey of 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is HXFLUNAXPRFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-10-8-11(9-12(15(10)20)16(21)18(2)3)17-26(24,25)14-7-5-4-6-13(14)19(22)23/h4-9,17,20H,1-3H3.
What are the key properties of 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide?
2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 379.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 22095828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).