4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 120723443

IUPAC4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-10-14-5-3-11-16-14;/h6-9,14,16-17H,2-5,10-12H2,1H3;1H/t14-;/m1./s1
InChIKeyXUDDVZQORMPFBY-PFEQFJNWSA-N
MW332.90 g/mol
LogP2.48
Rot. Bonds7

About 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120723443) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120723443
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-10-14-5-3-11-16-14;/h6-9,14,16-17H,2-5,10-12H2,1H3;1H/t14-;/m1./s1
InChIKeyXUDDVZQORMPFBY-PFEQFJNWSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740
N-methyl-4-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]benzamide
CID 104972549
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120723443) is 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is CCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN2)cc1.Cl.
What is the InChIKey of 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is XUDDVZQORMPFBY-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-2-4-13-6-8-15(9-7-13)20(18,19)17-12-10-14-5-3-11-16-14;/h6-9,14,16-17H,2-5,10-12H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).