N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide

C14H13N3O5S — CID 5334

IUPACN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyGWBPFRGXNGPPMF-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.35
Rot. Bonds5

About N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide

N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 5334) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
PubChem CID5334
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKeyGWBPFRGXNGPPMF-UHFFFAOYSA-N
XLogP2.35
TPSA118.41 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 ≤ 52.35
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

N4-Acetylsulfanilamide
CID 8482
Monoacetyldapsone
CID 11257
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
4-{[(3-Nitrophenyl)carbamoyl]amino}benzenesulfonamide
CID 50909907
N-(4-sulfamoylphenyl)propanamide
CID 847760
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
CID 3253857
N-(4-sulfamoylphenyl)butanamide
CID 3510137
N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 23644664
N-(4-(4-Nitrobenzene-1-sulfonyl)phenyl)acetamide
CID 232557

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide (CID 5334) is N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GWBPFRGXNGPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18).
What are the key properties of N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).