1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid

C10H10N2O6S — CID 60728998

IUPAC1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C10H10N2O6S/c13-9(14)10(5-6-10)11-19(17,18)8-3-1-7(2-4-8)12(15)16/h1-4,11H,5-6H2,(H,13,14)
InChIKeyYDISNMPPFFEXON-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.49
Rot. Bonds5

About 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid

1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 60728998) has the molecular formula C10H10N2O6S and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID60728998
Molecular FormulaC10H10N2O6S
Molecular Weight286.26 g/mol
Exact Mass286.03
IUPAC Name1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C10H10N2O6S/c13-9(14)10(5-6-10)11-19(17,18)8-3-1-7(2-4-8)12(15)16/h1-4,11H,5-6H2,(H,13,14)
InChIKeyYDISNMPPFFEXON-UHFFFAOYSA-N
XLogP0.49
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.49
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

1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
4-[(4-cyanophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291922
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
methyl (2S)-3-(4-cyanophenyl)-2-[[1-[(4-nitrophenyl)sulfonylamino]cyclopropanecarbonyl]amino]propanoate
CID 178167796
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
CID 87359197
CID 87359197
1-[(2-methyl-3-nitrophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164856
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032166

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 60728998) is 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is YDISNMPPFFEXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S/c13-9(14)10(5-6-10)11-19(17,18)8-3-1-7(2-4-8)12(15)16/h1-4,11H,5-6H2,(H,13,14).
What are the key properties of 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid?
1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60728998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).