N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride

C19H27ClN4O3S — CID 120664151

IUPACN-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N4O3S.ClH/c20-9-6-12-23(15-16-7-2-1-3-8-16)27(25,26)17-13-18(21-14-17)19(24)22-10-4-5-11-22;/h1-3,7-8,13-14,21H,4-6,9-12,15,20H2;1H
InChIKeyQJAYDIUOLWUFQZ-UHFFFAOYSA-N
MW426.97 g/mol
LogP2.21
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (PubChem CID 120664151) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
PubChem CID120664151
Molecular FormulaC19H27ClN4O3S
Molecular Weight426.97 g/mol
Exact Mass426.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N4O3S.ClH/c20-9-6-12-23(15-16-7-2-1-3-8-16)27(25,26)17-13-18(21-14-17)19(24)22-10-4-5-11-22;/h1-3,7-8,13-14,21H,4-6,9-12,15,20H2;1H
InChIKeyQJAYDIUOLWUFQZ-UHFFFAOYSA-N
XLogP2.21
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 120895508
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (CID 120664151) is N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The InChIKey is QJAYDIUOLWUFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S.ClH/c20-9-6-12-23(15-16-7-2-1-3-8-16)27(25,26)17-13-18(21-14-17)19(24)22-10-4-5-11-22;/h1-3,7-8,13-14,21H,4-6,9-12,15,20H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride has a molecular weight of 426.97 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120664151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).