N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

C15H26ClN3O4S2 — CID 120664735

IUPACN-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-7-6-8-15(11-14)24(21,22)18-9-4-5-10-18;/h6-8,11,13,16-17H,3-5,9-10,12H2,1-2H3;1H/t13-;/m1./s1
InChIKeyPSLWMOKRSUIQHF-BTQNPOSSSA-N
MW411.98 g/mol
LogP1.17
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 120664735) has the molecular formula C15H26ClN3O4S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID120664735
Molecular FormulaC15H26ClN3O4S2
Molecular Weight411.98 g/mol
Exact Mass411.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-7-6-8-15(11-14)24(21,22)18-9-4-5-10-18;/h6-8,11,13,16-17H,3-5,9-10,12H2,1-2H3;1H/t13-;/m1./s1
InChIKeyPSLWMOKRSUIQHF-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]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120713904
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
CID 120664523
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-(3-aminopropyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 119962244
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (CID 120664735) is N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is PSLWMOKRSUIQHF-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H25N3O4S2.ClH/c1-3-16-13(2)12-17-23(19,20)14-7-6-8-15(11-14)24(21,22)18-9-4-5-10-18;/h6-8,11,13,16-17H,3-5,9-10,12H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-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]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).