N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride

C13H22ClN3O4S2 — CID 119989093

IUPACN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O4S2.ClH/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,14H2;1H
InChIKeyDSBZMWMDVDPMDT-UHFFFAOYSA-N
MW383.92 g/mol
LogP0.14
Rot. Bonds7

About N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride (PubChem CID 119989093) has the molecular formula C13H22ClN3O4S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride
PubChem CID119989093
Molecular FormulaC13H22ClN3O4S2
Molecular Weight383.92 g/mol
Exact Mass383.07
IUPAC NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O4S2.ClH/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,14H2;1H
InChIKeyDSBZMWMDVDPMDT-UHFFFAOYSA-N
XLogP0.14
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide
CID 119989094
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]ethanesulfonamide
CID 119989090
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
ethyl N-[(3S)-1-[2-(benzenesulfonamido)ethylsulfonyl]piperidin-3-yl]carbamate
CID 96540850
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride (CID 119989093) is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride is Cl.NCC1CCCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride?
The InChIKey is DSBZMWMDVDPMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2.ClH/c14-11-12-5-4-9-16(12)21(17,18)10-8-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,14H2;1H.
What are the key properties of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride?
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119989093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).