N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

C15H26ClN3O4S2 — CID 120713904

IUPACN-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-8-4-5-9-15(14)24(21,22)18-10-6-7-11-18;/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3;1H/t13-;/m1./s1
InChIKeySJCJDPKTXUUAJB-BTQNPOSSSA-N
MW411.98 g/mol
LogP1.17
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 120713904) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID120713904
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-8-4-5-9-15(14)24(21,22)18-10-6-7-11-18;/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3;1H/t13-;/m1./s1
InChIKeySJCJDPKTXUUAJB-BTQNPOSSSA-N
XLogP1.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120664735
N-[(2S)-1-aminopropan-2-yl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120713101
N-[3-(methylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707249
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
N-[(2R)-2-(ethylamino)propyl]-2-methyl-3-nitrobenzenesulfonamide
CID 120664804
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (CID 120713904) is N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is SJCJDPKTXUUAJB-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-8-4-5-9-15(14)24(21,22)18-10-6-7-11-18;/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).