N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide

C13H21N3O5S — CID 2144

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide
SMILESNCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)
InChIKeyQGGYVKRXFQLYQD-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.94
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide (PubChem CID 2144) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide
PubChem CID2144
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide
SMILESNCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)
InChIKeyQGGYVKRXFQLYQD-UHFFFAOYSA-N
XLogP-0.94
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide (CID 2144) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide is NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide?
The InChIKey is QGGYVKRXFQLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide has a molecular weight of 331.39 g/mol, XLogP of -0.94, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 2144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).