N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride

C15H24ClN3O4S — CID 3015163

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);1H
InChIKeyPFHZICSPLHQCDZ-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.98
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride (PubChem CID 3015163) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride
PubChem CID3015163
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);1H
InChIKeyPFHZICSPLHQCDZ-UHFFFAOYSA-N
XLogP0.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulpiride
CID 5355
Levosulpiride
CID 688272
Tiapride
CID 5467
Sultopride
CID 5357
Veralipride
CID 47979
Tiapride Hydrochloride
CID 5702214
Sulmepride
CID 3018598
Cyprosulfamide
CID 11707647
Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-, hydrochloride (1:1)
CID 3082221
Glisentide
CID 65779
Sulpiride, (R)-
CID 643497
Iodopride
CID 3082754

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride (CID 3015163) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride is CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride?
The InChIKey is PFHZICSPLHQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 3015163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).