N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride

C16H26ClN3O5S — CID 154900357

IUPACN-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)NCC2(O)CCNC2)c1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-2-24-9-8-18-15(20)13-4-3-5-14(10-13)25(22,23)19-12-16(21)6-7-17-11-16;/h3-5,10,17,19,21H,2,6-9,11-12H2,1H3,(H,18,20);1H
InChIKeyYCRIFINLCKZZAD-UHFFFAOYSA-N
MW407.92 g/mol
LogP-0.12
Rot. Bonds9

About N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride

N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride (PubChem CID 154900357) has the molecular formula C16H26ClN3O5S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride
PubChem CID154900357
Molecular FormulaC16H26ClN3O5S
Molecular Weight407.92 g/mol
Exact Mass407.13
IUPAC NameN-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)NCC2(O)CCNC2)c1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-2-24-9-8-18-15(20)13-4-3-5-14(10-13)25(22,23)19-12-16(21)6-7-17-11-16;/h3-5,10,17,19,21H,2,6-9,11-12H2,1H3,(H,18,20);1H
InChIKeyYCRIFINLCKZZAD-UHFFFAOYSA-N
XLogP-0.12
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride (CID 154900357) is N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride is CCOCCNC(=O)c1cccc(S(=O)(=O)NCC2(O)CCNC2)c1.Cl.
What is the InChIKey of N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is YCRIFINLCKZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S.ClH/c1-2-24-9-8-18-15(20)13-4-3-5-14(10-13)25(22,23)19-12-16(21)6-7-17-11-16;/h3-5,10,17,19,21H,2,6-9,11-12H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride?
N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of -0.12, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 154900357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).