N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide

C14H13N3O5S — CID 10314877

IUPACN-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)14(18)16-9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyZVPSJVRRYDYIEK-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.17
Rot. Bonds5

About N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide

N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide (PubChem CID 10314877) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
PubChem CID10314877
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)14(18)16-9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyZVPSJVRRYDYIEK-UHFFFAOYSA-N
XLogP1.17
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.17
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-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946421
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
CID 107980090
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide (CID 10314877) is N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide?
The InChIKey is ZVPSJVRRYDYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)14(18)16-9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22).
What are the key properties of N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide?
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide has a molecular weight of 335.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 10314877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).