N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride

C15H26ClN3O4S2 — CID 119976861

IUPACN-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-2-11-18(14-8-9-16-13-14)23(19,20)12-10-17-24(21,22)15-6-4-3-5-7-15;/h3-7,14,16-17H,2,8-13H2,1H3;1H
InChIKeyUGWFRAAEKGZVCK-UHFFFAOYSA-N
MW411.98 g/mol
LogP0.79
Rot. Bonds9

About N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride

N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119976861) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID119976861
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC NameN-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-2-11-18(14-8-9-16-13-14)23(19,20)12-10-17-24(21,22)15-6-4-3-5-7-15;/h3-7,14,16-17H,2,8-13H2,1H3;1H
InChIKeyUGWFRAAEKGZVCK-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride (CID 119976861) is N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is UGWFRAAEKGZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-2-11-18(14-8-9-16-13-14)23(19,20)12-10-17-24(21,22)15-6-4-3-5-7-15;/h3-7,14,16-17H,2,8-13H2,1H3;1H.
What are the key properties of N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[propyl(pyrrolidin-3-yl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).