N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide

C20H16ClN3O7S — CID 24673057

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O7S/c1-31-19-8-5-12(9-17(19)24(27)28)20(26)22-16-11-15(6-7-18(16)25)32(29,30)23-14-4-2-3-13(21)10-14/h2-11,23,25H,1H3,(H,22,26)
InChIKeyPEMSLQAWYWFROE-UHFFFAOYSA-N
MW477.88 g/mol
LogP4.02
Rot. Bonds7

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 24673057) has the molecular formula C20H16ClN3O7S and a molecular weight of 477.88 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
PubChem CID24673057
Molecular FormulaC20H16ClN3O7S
Molecular Weight477.88 g/mol
Exact Mass477.04
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O7S/c1-31-19-8-5-12(9-17(19)24(27)28)20(26)22-16-11-15(6-7-18(16)25)32(29,30)23-14-4-2-3-13(21)10-14/h2-11,23,25H,1H3,(H,22,26)
InChIKeyPEMSLQAWYWFROE-UHFFFAOYSA-N
XLogP4.02
TPSA147.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 5034747
N-(3-chlorophenyl)-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679526
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
CID 38487232
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide (CID 24673057) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1[N+](=O)[O-].
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is PEMSLQAWYWFROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O7S/c1-31-19-8-5-12(9-17(19)24(27)28)20(26)22-16-11-15(6-7-18(16)25)32(29,30)23-14-4-2-3-13(21)10-14/h2-11,23,25H,1H3,(H,22,26).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 477.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 24673057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).