N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C12H15N3O5S — CID 33145151

IUPACN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O5S/c16-12(9-5-6-9)13-7-8-14-21(19,20)11-4-2-1-3-10(11)15(17)18/h1-4,9,14H,5-8H2,(H,13,16)
InChIKeyVGGFZKMAHCSADN-UHFFFAOYSA-N
MW313.33 g/mol
LogP0.40
Rot. Bonds7

About N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 33145151) has the molecular formula C12H15N3O5S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID33145151
Molecular FormulaC12H15N3O5S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O5S/c16-12(9-5-6-9)13-7-8-14-21(19,20)11-4-2-1-3-10(11)15(17)18/h1-4,9,14H,5-8H2,(H,13,16)
InChIKeyVGGFZKMAHCSADN-UHFFFAOYSA-N
XLogP0.40
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
CID 119329237
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
CID 103270198
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939474
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
CID 26541449
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 33145151) is N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VGGFZKMAHCSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c16-12(9-5-6-9)13-7-8-14-21(19,20)11-4-2-1-3-10(11)15(17)18/h1-4,9,14H,5-8H2,(H,13,16).
What are the key properties of N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 313.33 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 33145151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).