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

C14H14N4O5S — CID 3112946

IUPACN-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N4O5S/c1-10(19)15-11-4-8-14(9-5-11)24(22,23)17-16-12-2-6-13(7-3-12)18(20)21/h2-9,16-17H,1H3,(H,15,19)
InChIKeyCYGZODPPWUAGEI-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.86
Rot. Bonds6

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

N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide (PubChem CID 3112946) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide
PubChem CID3112946
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC NameN-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N4O5S/c1-10(19)15-11-4-8-14(9-5-11)24(22,23)17-16-12-2-6-13(7-3-12)18(20)21/h2-9,16-17H,1H3,(H,15,19)
InChIKeyCYGZODPPWUAGEI-UHFFFAOYSA-N
XLogP1.86
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Sulfanitran
CID 5334
N-(4-(4-Nitrobenzene-1-sulfonyl)phenyl)acetamide
CID 232557
1-[(4-Nitrophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710603
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 346529
N-[4-(anilinosulfamoyl)phenyl]acetamide
CID 795453
N'~1~-[(4-nitrophenyl)sulfonyl]-N'~2~-phenylethanedihydrazide
CID 3685220
N-[4-[N'-(4-Fluorophenyl)hydrazinesulfonyl]phenyl]acetamide
CID 8005342
N-[4-(4-Sulfamoyl-phenylamino)-cyclohexa-2,4-dienyl]-acetamide
CID 44403312
N-[4-[(3-fluoroanilino)sulfamoyl]phenyl]acetamide
CID 118706842
N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide
CID 118706850

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide (CID 3112946) is N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is CYGZODPPWUAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-10(19)15-11-4-8-14(9-5-11)24(22,23)17-16-12-2-6-13(7-3-12)18(20)21/h2-9,16-17H,1H3,(H,15,19).
What are the key properties of N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 350.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitroanilino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3112946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).