N-(3-methoxypropyl)-2-sulfamoylbenzamide

C11H16N2O4S — CID 43164716

IUPACN-(3-methoxypropyl)-2-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-17-8-4-7-13-11(14)9-5-2-3-6-10(9)18(12,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMDNJENLAVBGHGO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.10
Rot. Bonds6

About N-(3-methoxypropyl)-2-sulfamoylbenzamide

N-(3-methoxypropyl)-2-sulfamoylbenzamide (PubChem CID 43164716) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-sulfamoylbenzamide
PubChem CID43164716
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(3-methoxypropyl)-2-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-17-8-4-7-13-11(14)9-5-2-3-6-10(9)18(12,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMDNJENLAVBGHGO-UHFFFAOYSA-N
XLogP0.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 61486233
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-sulfamoylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-2-sulfamoylbenzamide (CID 43164716) is N-(3-methoxypropyl)-2-sulfamoylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-sulfamoylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-sulfamoylbenzamide is COCCCNC(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-2-sulfamoylbenzamide?
The InChIKey is MDNJENLAVBGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-8-4-7-13-11(14)9-5-2-3-6-10(9)18(12,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-(3-methoxypropyl)-2-sulfamoylbenzamide?
N-(3-methoxypropyl)-2-sulfamoylbenzamide has a molecular weight of 272.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-sulfamoylbenzamide is sourced from PubChem (CID 43164716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).