N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide

C11H15N3O6S — CID 65375776

IUPACN-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15N3O6S/c1-20-4-2-3-13-11(15)8-5-9(14(16)17)7-10(6-8)21(12,18)19/h5-7H,2-4H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeySLSRYXJKDNFTFU-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.01
Rot. Bonds7

About N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide

N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide (PubChem CID 65375776) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
PubChem CID65375776
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC NameN-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15N3O6S/c1-20-4-2-3-13-11(15)8-5-9(14(16)17)7-10(6-8)21(12,18)19/h5-7H,2-4H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeySLSRYXJKDNFTFU-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

3-nitro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374277
N-(cyclobutylmethyl)-3-nitro-5-sulfamoylbenzamide
CID 65386245
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
N-butan-2-yl-3-nitro-5-sulfamoylbenzamide
CID 65373821
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
N-[2-(methylamino)ethyl]-3-methylsulfonyl-5-nitrobenzamide
CID 119504304
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
3-methoxypropyl 3-chlorosulfonyl-5-nitrobenzoate
CID 65395988
N-cyclobutyl-3-nitro-5-sulfamoylbenzamide
CID 65388072
N-dodecyl-3,5-dinitrobenzamide
CID 3416063
3,5-dinitro-N-undecylbenzamide
CID 5056221

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide (CID 65375776) is N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide is COCCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide?
The InChIKey is SLSRYXJKDNFTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-20-4-2-3-13-11(15)8-5-9(14(16)17)7-10(6-8)21(12,18)19/h5-7H,2-4H2,1H3,(H,13,15)(H2,12,18,19).
What are the key properties of N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide?
N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide 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 N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide is sourced from PubChem (CID 65375776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).