N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide

C14H21N3O4S — CID 129318232

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyNFLGNXQFVLJJEM-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.25
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide (PubChem CID 129318232) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide
PubChem CID129318232
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1O
InChIInChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyNFLGNXQFVLJJEM-UHFFFAOYSA-N
XLogP0.25
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide (CID 129318232) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide is CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide?
The InChIKey is NFLGNXQFVLJJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-sulfamoylbenzamide is sourced from PubChem (CID 129318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).