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

C19H14ClN3O6S — CID 46549914

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O6S/c20-13-4-2-5-14(10-13)22-30(28,29)16-7-8-18(24)17(11-16)21-19(25)12-3-1-6-15(9-12)23(26)27/h1-11,22,24H,(H,21,25)
InChIKeyREJSKGKDGXCDIB-UHFFFAOYSA-N
MW447.86 g/mol
LogP4.01
Rot. Bonds6

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

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide (PubChem CID 46549914) has the molecular formula C19H14ClN3O6S and a molecular weight of 447.86 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
PubChem CID46549914
Molecular FormulaC19H14ClN3O6S
Molecular Weight447.86 g/mol
Exact Mass447.03
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O6S/c20-13-4-2-5-14(10-13)22-30(28,29)16-7-8-18(24)17(11-16)21-19(25)12-3-1-6-15(9-12)23(26)27/h1-11,22,24H,(H,21,25)
InChIKeyREJSKGKDGXCDIB-UHFFFAOYSA-N
XLogP4.01
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]benzamide
CID 36925968
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
CID 24673057
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
CID 4546523
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide (CID 46549914) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide is O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide?
The InChIKey is REJSKGKDGXCDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O6S/c20-13-4-2-5-14(10-13)22-30(28,29)16-7-8-18(24)17(11-16)21-19(25)12-3-1-6-15(9-12)23(26)27/h1-11,22,24H,(H,21,25).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide has a molecular weight of 447.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide is sourced from PubChem (CID 46549914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).