Sulfanitran

C14H13N3O5S — CID 5334

IUPACN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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
LogP2.00
Rot. Bonds4

About Sulfanitran

Sulfanitran (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 NameSulfanitran
PubChem CID5334
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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
XLogP2.00
TPSA129.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity524

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
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

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 Sulfanitran?
The IUPAC name of Sulfanitran (CID 5334) is N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for Sulfanitran?
The canonical SMILES for Sulfanitran is CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-].
What is the InChIKey of Sulfanitran?
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 Sulfanitran?
Sulfanitran has a molecular weight of 335.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfanitran is sourced from PubChem (CID 5334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).