N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide

C11H13N3O5S — CID 65386158

IUPACN-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide
SMILESCC1CC1NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H13N3O5S/c1-6-2-10(6)13-11(15)7-3-8(14(16)17)5-9(4-7)20(12,18)19/h3-6,10H,2H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeySPKDOWOKGGPVTJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.38
Rot. Bonds4

About N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide

N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide (PubChem CID 65386158) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide
PubChem CID65386158
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC NameN-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide
SMILESCC1CC1NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H13N3O5S/c1-6-2-10(6)13-11(15)7-3-8(14(16)17)5-9(4-7)20(12,18)19/h3-6,10H,2H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeySPKDOWOKGGPVTJ-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
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-cyclobutyl-3-nitro-5-sulfamoylbenzamide
CID 65388072
N-(cyclobutylmethyl)-3-nitro-5-sulfamoylbenzamide
CID 65386245
N-butan-2-yl-3-nitro-5-sulfamoylbenzamide
CID 65373821
3-nitro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374277
3-(3-methylpyrrolidine-1-carbonyl)-5-nitrobenzenesulfonamide
CID 65388778
N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
CID 65375776
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
ethyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-5-nitrobenzoate
CID 9404070
N-(3-aminocyclobutyl)-3-methyl-5-nitrobenzamide
CID 113396280
3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
CID 82780340
N-butyl-N-methyl-3-nitro-5-sulfamoylbenzamide
CID 65373486

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide?
The IUPAC name of N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide (CID 65386158) is N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide is CC1CC1NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1.
What is the InChIKey of N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide?
The InChIKey is SPKDOWOKGGPVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-2-10(6)13-11(15)7-3-8(14(16)17)5-9(4-7)20(12,18)19/h3-6,10H,2H2,1H3,(H,13,15)(H2,12,18,19).
What are the key properties of N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide?
N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide has a molecular weight of 299.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide is sourced from PubChem (CID 65386158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).