N-cyclobutyl-3-nitro-5-sulfamoylbenzamide

C11H13N3O5S — CID 65388072

IUPACN-cyclobutyl-3-nitro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5S/c12-20(18,19)10-5-7(4-9(6-10)14(16)17)11(15)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,15)(H2,12,18,19)
InChIKeyYQHGQSBSCNQCIN-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.52
Rot. Bonds4

About N-cyclobutyl-3-nitro-5-sulfamoylbenzamide

N-cyclobutyl-3-nitro-5-sulfamoylbenzamide (PubChem CID 65388072) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is N-cyclobutyl-3-nitro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-nitro-5-sulfamoylbenzamide
PubChem CID65388072
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC NameN-cyclobutyl-3-nitro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5S/c12-20(18,19)10-5-7(4-9(6-10)14(16)17)11(15)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,15)(H2,12,18,19)
InChIKeyYQHGQSBSCNQCIN-UHFFFAOYSA-N
XLogP0.52
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.52
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

N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-(cyclobutylmethyl)-3-nitro-5-sulfamoylbenzamide
CID 65386245
N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide
CID 65386158
N-cyclobutyl-4-methyl-3-nitro-5-sulfamoylbenzamide
CID 65388451
3-(cyclopropylcarbamoyl)-5-nitrobenzoic acid
CID 69078594
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
3-nitro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374277
N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
CID 65375776
ethyl 3-(cyclohexylcarbamoyl)-5-nitrobenzoate
CID 43002742
N-butan-2-yl-3-nitro-5-sulfamoylbenzamide
CID 65373821
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide
CID 81478632

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-nitro-5-sulfamoylbenzamide?
The IUPAC name of N-cyclobutyl-3-nitro-5-sulfamoylbenzamide (CID 65388072) is N-cyclobutyl-3-nitro-5-sulfamoylbenzamide.
What is the SMILES notation for N-cyclobutyl-3-nitro-5-sulfamoylbenzamide?
The canonical SMILES for N-cyclobutyl-3-nitro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclobutyl-3-nitro-5-sulfamoylbenzamide?
The InChIKey is YQHGQSBSCNQCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c12-20(18,19)10-5-7(4-9(6-10)14(16)17)11(15)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,15)(H2,12,18,19).
What are the key properties of N-cyclobutyl-3-nitro-5-sulfamoylbenzamide?
N-cyclobutyl-3-nitro-5-sulfamoylbenzamide has a molecular weight of 299.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-nitro-5-sulfamoylbenzamide is sourced from PubChem (CID 65388072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).