2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide

C11H15N3O6S — CID 104783902

IUPAC2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H15N3O6S/c1-20-10-7-8(14(16)17)3-4-9(10)11(15)13-5-2-6-21(12,18)19/h3-4,7H,2,5-6H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeyYJWNPYDYSVLWNB-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.01
Rot. Bonds7

About 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide

2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 104783902) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
PubChem CID104783902
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H15N3O6S/c1-20-10-7-8(14(16)17)3-4-9(10)11(15)13-5-2-6-21(12,18)19/h3-4,7H,2,5-6H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeyYJWNPYDYSVLWNB-UHFFFAOYSA-N
XLogP0.01
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(2-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 104783294
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
N-(2-amino-3-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104783820
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
CID 113465196
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
CID 78953205
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-[[(2-methoxy-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 104783302

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide (CID 104783902) is 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide is COc1cc([N+](=O)[O-])ccc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is YJWNPYDYSVLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-20-10-7-8(14(16)17)3-4-9(10)11(15)13-5-2-6-21(12,18)19/h3-4,7H,2,5-6H2,1H3,(H,13,15)(H2,12,18,19).
What are the key properties of 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide?
2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 317.32 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 104783902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).